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

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[2-oxidanylidene-1-(2-phenylethanoyl)azepan-3-yl]piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[2-oxo-1-(2-phenylacetyl)azepan-3-yl]piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-[2-oxo-1-(1-oxo-2-phenylethyl)-3-azepanyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-[2-oxo-1-(2-phenylacetyl)azepan-3-yl]piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[2-keto-1-(2-phenylacetyl)azepan-3-yl]piperazine-1-carboxamide Formula: C28H31ClN6O3 MolecularWeight: 535.03714

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)C(=O)CC5=CC=CC=C5

InChI

InChI=1S/C28H31ClN6O3/c29-20-9-10-21-23(17-20)31-25(30)18-24(21)33-12-14-34(15-13-33)28(38)32-22-8-4-5-11-35(27(22)37)26(36)16-19-6-2-1-3-7-19/h1-3,6-7,9-10,17-18,22H,4-5,8,11-16H2,(H2,30,31)(H,32,38)