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

Systemtic Name: 2-[2-azanyl-4-(2-chloranyl-7-methyl-quinolin-3-yl)-6-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyridin-3-yl]ethanenitrile Openeye Name: 2-[2-amino-4-(2-chloro-7-methyl-3-quinolyl)-6-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-3-yl]acetonitrile CAS Name: 2-[2-amino-4-(2-chloro-7-methyl-3-quinolinyl)-6-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyridin-3-yl]acetonitrile IUPAC Name: 2-[2-amino-4-(2-chloro-7-methylquinolin-3-yl)-6-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-3-yl]acetonitrile Traditional Name: 2-[2-amino-4-(2-chloro-7-methyl-3-quinolyl)-6-(4-ketocyclohexa-2,5-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(=O)C=C4)NC(=C3CC#N)N)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C3=CC(=C4C=CC(=O)C=C4)NC(=C3CC#N)N)Cl

InChI

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