5ZI
Summary
| Name: | 4-[3-(4-oxo-3,4-dihydroquinazolin-2- yl)propanamido]-N-(quinolin-8-yl)benzamide |
| Formula: | C27 H21 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 463.487 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 4-[3-(4-oxidanylidene-3H-quinazolin-2-yl)propanoylamino]-N-quinolin-8-yl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C27H21N5O3/c33-24(15-14-23-30-21-8-2-1-7-20(21)27(35)32-23)29-19-12-10-18(11-13-19)26(34)31-22-9-3-5-17-6-4-16-28-25(17)22/h1-13,16H,14-15H2,(H,29,33)(H,31,34)(H,30,32,35) |
| InChIKey | InChI | 1.03 | HILQRGHXDPSDBM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(CCC1=Nc2ccccc2C(=O)N1)Nc3ccc(cc3)C(=O)Nc4cccc5cccnc45 |
| SMILES | CACTVS | 3.385 | O=C(CCC1=Nc2ccccc2C(=O)N1)Nc3ccc(cc3)C(=O)Nc4cccc5cccnc45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)NC(=N2)CCC(=O)Nc3ccc(cc3)C(=O)Nc4cccc5c4nccc5 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)NC(=N2)CCC(=O)Nc3ccc(cc3)C(=O)Nc4cccc5c4nccc5 |
