4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[2-oxidanylidene-1-(phenylcarbonyl)azepan-3-yl]piperazine-1-carboxamide

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[2-oxidanylidene-1-(phenylcarbonyl)azepan-3-yl]piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(1-benzoyl-2-oxo-azepan-3-yl)piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-(1-benzoyl-2-oxo-3-azepanyl)-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-(1-benzoyl-2-oxoazepan-3-yl)piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(1-benzoyl-2-keto-azepan-3-yl)piperazine-1-carboxamide Formula: C27H29ClN6O3 MolecularWeight: 521.01056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H29ClN6O3/c28-19-9-10-20-22(16-19)30-24(29)17-23(20)32-12-14-33(15-13-32)27(37)31-21-8-4-5-11-34(26(21)36)25(35)18-6-2-1-3-7-18/h1-3,6-7,9-10,16-17,21H,4-5,8,11-15H2,(H2,29,30)(H,31,37)