2-[(6Z)-2-azanyl-4-(2-chloranyl-7-methyl-quinolin-3-yl)-6-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1H-pyridin-3-yl]ethanenitrile

Systemtic Name: 2-[(6Z)-2-azanyl-4-(2-chloranyl-7-methyl-quinolin-3-yl)-6-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1H-pyridin-3-yl]ethanenitrile Openeye Name: 2-[(6Z)-2-amino-4-(2-chloro-7-methyl-3-quinolyl)-6-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1H-pyridin-3-yl]acetonitrile CAS Name: 2-[(6Z)-2-amino-4-(2-chloro-7-methyl-3-quinolinyl)-6-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyridin-3-yl]acetonitrile IUPAC Name: 2-[(6Z)-2-amino-4-(2-chloro-7-methylquinolin-3-yl)-6-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-3-yl]acetonitrile Traditional Name: 2-[(6Z)-2-amino-4-(2-chloro-7-methyl-3-quinolyl)-6-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-1H-pyridin-3-yl]acetonitrile Formula: C23H17ClN4O2 MolecularWeight: 416.85968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C3=CC(=C4C=CC(=O)C=C4O)NC(=C3CC#N)N)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C3=C/C(=C/4\C=CC(=O)C=C4O)/NC(=C3CC#N)N)Cl

InChI

InChI=1S/C23H17ClN4O2/c1-12-2-3-13-9-18(22(24)27-19(13)8-12)17-11-20(28-23(26)15(17)6-7-25)16-5-4-14(29)10-21(16)30/h2-5,8-11,28,30H,6,26H2,1H3/b20-16-