3-azanyl-2-(3-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carbonitrile

Systemtic Name: 3-azanyl-2-(3-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carbonitrile Openeye Name: 3-amino-2-(3-methoxyphenyl)-1-oxo-isoquinoline-4-carbonitrile CAS Name: 3-amino-2-(3-methoxyphenyl)-1-oxo-4-isoquinolinecarbonitrile IUPAC Name: 3-amino-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carbonitrile Traditional Name: 3-amino-1-keto-2-(3-methoxyphenyl)isoquinoline-4-carbonitrile Formula: C17H13N3O2 MolecularWeight: 291.30402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=C(C3=CC=CC=C3C2=O)C#N)N

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=C(C3=CC=CC=C3C2=O)C#N)N

InChI

InChI=1S/C17H13N3O2/c1-22-12-6-4-5-11(9-12)20-16(19)15(10-18)13-7-2-3-8-14(13)17(20)21/h2-9H,19H2,1H3