6-azanyl-1-(4-chlorophenyl)-4-(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

Systemtic Name: 6-azanyl-1-(4-chlorophenyl)-4-(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile Openeye Name: 6-amino-1-(4-chlorophenyl)-4-(5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile CAS Name: 6-amino-1-(4-chlorophenyl)-4-(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile IUPAC Name: 6-amino-1-(4-chlorophenyl)-4-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile Traditional Name: 6-amino-1-(4-chlorophenyl)-4-(6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile Formula: C21H16ClN5O2 MolecularWeight: 405.83704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C3C=CC=C(C3=O)OC)C(=C(N=C2N(N1)C4=CC=C(C=C4)Cl)N)C#N

Isomeric SMILES

CC1=C2C(=C3C=CC=C(C3=O)OC)C(=C(N=C2N(N1)C4=CC=C(C=C4)Cl)N)C#N

InChI

InChI=1S/C21H16ClN5O2/c1-11-17-18(14-4-3-5-16(29-2)19(14)28)15(10-23)20(24)25-21(17)27(26-11)13-8-6-12(22)7-9-13/h3-9,26H,24H2,1-2H3