4-(3-chlorophenyl)-6-methoxy-2-methyl-1-oxidanylidene-isoquinoline-3-carbonitrile

Systemtic Name: 4-(3-chlorophenyl)-6-methoxy-2-methyl-1-oxidanylidene-isoquinoline-3-carbonitrile Openeye Name: 4-(3-chlorophenyl)-6-methoxy-2-methyl-1-oxo-isoquinoline-3-carbonitrile CAS Name: 4-(3-chlorophenyl)-6-methoxy-2-methyl-1-oxo-3-isoquinolinecarbonitrile IUPAC Name: 4-(3-chlorophenyl)-6-methoxy-2-methyl-1-oxoisoquinoline-3-carbonitrile Traditional Name: 4-(3-chlorophenyl)-1-keto-6-methoxy-2-methyl-isoquinoline-3-carbonitrile Formula: C18H13ClN2O2 MolecularWeight: 324.76102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC(=CC=C3)Cl)C#N

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC(=CC=C3)Cl)C#N

InChI

InChI=1S/C18H13ClN2O2/c1-21-16(10-20)17(11-4-3-5-12(19)8-11)15-9-13(23-2)6-7-14(15)18(21)22/h3-9H,1-2H3