34Y
Summary
| Name: | 4-[(4-methylpiperazin-1-yl)methyl]-N-{3-[3-methyl-4-({[5-(propan-2-yl)-1,2-oxazol-3-yl]carbamoyl}amino)phenyl]-1H-pyrazol-5-yl}benzamide |
| Formula: | C30 H36 N8 O3 |
| Formal charge: | 0 |
| Formula weight: | 556.659 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(4-methylpiperazin-1-yl)methyl]-N-{3-[3-methyl-4-({[5-(propan-2-yl)-1,2-oxazol-3-yl]carbamoyl}amino)phenyl]-1H-pyrazol-5-yl}benzamide |
| OpenEye OEToolkits | 2.0.4 | 4-[(4-methylpiperazin-1-yl)methyl]-~{N}-[3-[3-methyl-4-[(5-propan-2-yl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1~{H}-pyrazol-5-yl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(c5onc(NC(Nc1ccc(cc1C)c4cc(NC(=O)c2ccc(cc2)CN3CCN(CC3)C)nn4)=O)c5)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C30H36N8O3/c1-19(2)26-17-28(36-41-26)33-30(40)31-24-10-9-23(15-20(24)3)25-16-27(35-34-25)32-29(39)22-7-5-21(6-8-22)18-38-13-11-37(4)12-14-38/h5-10,15-17,19H,11-14,18H2,1-4H3,(H2,31,33,36,40)(H2,32,34,35,39) |
| InChIKey | InChI | 1.03 | DGTHZVANBQORTH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1onc(NC(=O)Nc2ccc(cc2C)c3cc([nH]n3)NC(=O)c4ccc(CN5CCN(C)CC5)cc4)c1 |
| SMILES | CACTVS | 3.385 | CC(C)c1onc(NC(=O)Nc2ccc(cc2C)c3cc([nH]n3)NC(=O)c4ccc(CN5CCN(C)CC5)cc4)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C |
