464
Summary
| Name: | 3-[5-({5-[(AMINOCARBONYL)AMINO]-2-OXO-2H-INDOL-3-YL}METHYL)-1H-PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE |
| Formula: | C28 H30 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 498.576 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(5-{[5-(carbamoylamino)-2-oxo-2H-indol-3-yl]methyl}-1H-pyrrol-3-yl)-N-(2-piperidin-1-ylethyl)benzamide |
| OpenEye OEToolkits | 1.5.0 | 3-[5-[[5-(aminocarbonylamino)-2-oxo-indol-3-yl]methyl]-1H-pyrrol-3-yl]-N-(2-piperidin-1-ylethyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N)NC=1C=CC2=NC(=O)C(=C2C=1)Cc3cc(cn3)c4cccc(c4)C(=O)NCCN5CCCCC5 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=O)NC1=CC2=C(Cc3[nH]cc(c3)c4cccc(c4)C(=O)NCCN5CCCCC5)C(=O)N=C2C=C1 |
| SMILES | CACTVS | 3.341 | NC(=O)NC1=CC2=C(Cc3[nH]cc(c3)c4cccc(c4)C(=O)NCCN5CCCCC5)C(=O)N=C2C=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)C(=O)NCCN2CCCCC2)c3cc([nH]c3)CC4=C5C=C(C=CC5=NC4=O)NC(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)C(=O)NCCN2CCCCC2)c3cc([nH]c3)CC4=C5C=C(C=CC5=NC4=O)NC(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C28H30N6O3/c29-28(37)32-21-7-8-25-23(15-21)24(27(36)33-25)16-22-14-20(17-31-22)18-5-4-6-19(13-18)26(35)30-9-12-34-10-2-1-3-11-34/h4-8,13-15,17,31H,1-3,9-12,16H2,(H,30,35)(H3,29,32,37) |
| InChIKey | InChI | 1.03 | PWZOBKJHPWISGC-UHFFFAOYSA-N |
