7Z2
Summary
| Name: | N-[4-[(5R)-1-(4-azanylbutyl)-6-oxidanylidene-5-quinolin-5-yl-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide |
| Formula: | C31 H31 N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 533.624 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[4-[(5~{R})-1-(4-azanylbutyl)-6-oxidanylidene-5-quinolin-5-yl-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C31H31N7O2/c32-13-1-2-16-38-30(39)27(25-5-3-7-28-26(25)6-4-14-34-28)17-29(36-38)21-8-10-24(11-9-21)35-31(40)37-19-22-12-15-33-18-23(22)20-37/h3-12,14-15,18,27H,1-2,13,16-17,19-20,32H2,(H,35,40)/t27-/m1/s1 |
| InChIKey | InChI | 1.06 | NJFRNKQNKJTDFZ-HHHXNRCGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCCN1N=C(C[C@@H](C1=O)c2cccc3ncccc23)c4ccc(NC(=O)N5Cc6ccncc6C5)cc4 |
| SMILES | CACTVS | 3.385 | NCCCCN1N=C(C[CH](C1=O)c2cccc3ncccc23)c4ccc(NC(=O)N5Cc6ccncc6C5)cc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c2cccnc2c1)[C@H]3CC(=NN(C3=O)CCCCN)c4ccc(cc4)NC(=O)N5Cc6ccncc6C5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c2cccnc2c1)C3CC(=NN(C3=O)CCCCN)c4ccc(cc4)NC(=O)N5Cc6ccncc6C5 |
