4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N'-[2-(2-oxidanylideneazepan-1-yl)ethanoyl]-N'-pyridin-4-yl-piperazine-1-carbohydrazide

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N'-[2-(2-oxidanylideneazepan-1-yl)ethanoyl]-N'-pyridin-4-yl-piperazine-1-carbohydrazide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]-N'-(4-pyridyl)piperazine-1-carbohydrazide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N'-[1-oxo-2-(2-oxo-1-azepanyl)ethyl]-N'-pyridin-4-yl-1-piperazinecarbohydrazide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N'-[2-(2-oxoazepan-1-yl)acetyl]-N'-pyridin-4-ylpiperazine-1-carbohydrazide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N'-[2-(2-ketoazepan-1-yl)acetyl]-N'-(4-pyridyl)piperazine-1-carbohydrazide Formula: C27H31ClN8O3 MolecularWeight: 551.03984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)N(C2=CC=NC=C2)NC(=O)N3CCN(CC3)C4=CC(=NC5=C4C=CC(=C5)Cl)N

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)N(C2=CC=NC=C2)NC(=O)N3CCN(CC3)C4=CC(=NC5=C4C=CC(=C5)Cl)N

InChI

InChI=1S/C27H31ClN8O3/c28-19-5-6-21-22(16-19)31-24(29)17-23(21)33-12-14-34(15-13-33)27(39)32-36(20-7-9-30-10-8-20)26(38)18-35-11-3-1-2-4-25(35)37/h5-10,16-17H,1-4,11-15,18H2,(H2,29,31)(H,32,39)