83P
Summary
| Name: | (R)-N-methyl-2-(3-((quinoxalin-6-ylamino)methyl)furan-2-carbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide |
| Synonyms: | (3R)-N-methyl-2-(3-{[(quinoxalin-6-yl)amino]methyl}furan-2-carbonyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxamide |
| Formula: | C27 H24 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 480.518 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-N-methyl-2-(3-{[(quinoxalin-6-yl)amino]methyl}furan-2-carbonyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxamide |
| OpenEye OEToolkits | 2.0.6 | (3~{R})-~{N}-methyl-2-[3-[(quinoxalin-6-ylamino)methyl]furan-2-yl]carbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CNC(=O)C3Cc2c1c(cccc1)nc2CN3C(=O)c4occc4CNc5cc6c(cc5)nccn6 |
| InChI | InChI | 1.03 | InChI=1S/C27H24N6O3/c1-28-26(34)24-13-19-18-4-2-3-5-20(18)32-23(19)15-33(24)27(35)25-16(8-11-36-25)14-31-17-6-7-21-22(12-17)30-10-9-29-21/h2-12,24,31-32H,13-15H2,1H3,(H,28,34)/t24-/m1/s1 |
| InChIKey | InChI | 1.03 | WHELPQVBBOUXAO-XMMPIXPASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)[C@H]1Cc2c(CN1C(=O)c3occc3CNc4ccc5nccnc5c4)[nH]c6ccccc26 |
| SMILES | CACTVS | 3.385 | CNC(=O)[CH]1Cc2c(CN1C(=O)c3occc3CNc4ccc5nccnc5c4)[nH]c6ccccc26 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CNC(=O)[C@H]1Cc2c3ccccc3[nH]c2CN1C(=O)c4c(cco4)CNc5ccc6c(c5)nccn6 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CNC(=O)C1Cc2c3ccccc3[nH]c2CN1C(=O)c4c(cco4)CNc5ccc6c(c5)nccn6 |
