6-chloranyl-2-(cyclohexylamino)-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-2-(cyclohexylamino)-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 6-chloro-2-(cyclohexylamino)-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylic acid CAS Name: 6-chloro-2-(cyclohexylamino)-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 6-chloro-2-(cyclohexylamino)-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 6-chloro-2-(cyclohexylamino)-1-keto-4-(p-tolyl)isoquinoline-3-carboxylic acid Formula: C23H23ClN2O3 MolecularWeight: 410.89332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Cl)NC4CCCCC4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Cl)NC4CCCCC4)C(=O)O

InChI

InChI=1S/C23H23ClN2O3/c1-14-7-9-15(10-8-14)20-19-13-16(24)11-12-18(19)22(27)26(21(20)23(28)29)25-17-5-3-2-4-6-17/h7-13,17,25H,2-6H2,1H3,(H,28,29)