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

Systemtic Name: 2-[(6Z)-2-azanyl-4-(2-chloranyl-7-methyl-quinolin-3-yl)-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-3-yl]ethanenitrile Openeye Name: 2-[(6Z)-2-amino-4-(2-chloro-7-methyl-3-quinolyl)-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-3-yl]acetonitrile CAS Name: 2-[(6Z)-2-amino-4-(2-chloro-7-methyl-3-quinolinyl)-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyridin-3-yl]acetonitrile IUPAC Name: 2-[(6Z)-2-amino-4-(2-chloro-7-methylquinolin-3-yl)-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-3-yl]acetonitrile Traditional Name: 2-[(6Z)-2-amino-4-(2-chloro-7-methyl-3-quinolyl)-6-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-3-yl]acetonitrile Formula: C23H17ClN4O MolecularWeight: 400.86028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C3=CC(=C4C=CC=CC4=O)NC(=C3CC#N)N)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C3=C/C(=C/4\C=CC=CC4=O)/NC(=C3CC#N)N)Cl

InChI

InChI=1S/C23H17ClN4O/c1-13-6-7-14-11-18(22(24)27-19(14)10-13)17-12-20(16-4-2-3-5-21(16)29)28-23(26)15(17)8-9-25/h2-7,10-12,28H,8,26H2,1H3/b20-16-