4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-(2-oxidanylideneazepan-1-yl)piperazine-1-carboxamide

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-(2-oxidanylideneazepan-1-yl)piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(2-oxoazepan-1-yl)piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-(2-oxo-1-azepanyl)-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-(2-oxoazepan-1-yl)piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(2-ketoazepan-1-yl)piperazine-1-carboxamide Formula: C20H25ClN6O2 MolecularWeight: 416.9045

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N

Isomeric SMILES

C1CCC(=O)N(CC1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N

InChI

InChI=1S/C20H25ClN6O2/c21-14-5-6-15-16(12-14)23-18(22)13-17(15)25-8-10-26(11-9-25)20(29)24-27-7-3-1-2-4-19(27)28/h5-6,12-13H,1-4,7-11H2,(H2,22,23)(H,24,29)