4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxamide

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[2-(2-methylanilino)-2-oxo-ethyl]piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-[2-(2-methylanilino)-2-oxoethyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-[2-(2-methylanilino)-2-oxoethyl]piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[2-keto-2-(o-toluidino)ethyl]piperazine-1-carboxamide Formula: C23H25ClN6O2 MolecularWeight: 452.9366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CNC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CNC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N

InChI

InChI=1S/C23H25ClN6O2/c1-15-4-2-3-5-18(15)28-22(31)14-26-23(32)30-10-8-29(9-11-30)20-13-21(25)27-19-12-16(24)6-7-17(19)20/h2-7,12-13H,8-11,14H2,1H3,(H2,25,27)(H,26,32)(H,28,31)