1-[(3-chlorophenyl)amino]-6,7-dimethoxy-isoquinoline-4-carbonitrile

Systemtic Name: 1-[(3-chlorophenyl)amino]-6,7-dimethoxy-isoquinoline-4-carbonitrile Openeye Name: 1-(3-chloroanilino)-6,7-dimethoxy-isoquinoline-4-carbonitrile CAS Name: 1-(3-chloroanilino)-6,7-dimethoxy-4-isoquinolinecarbonitrile IUPAC Name: 1-(3-chloroanilino)-6,7-dimethoxyisoquinoline-4-carbonitrile Traditional Name: 1-(3-chloroanilino)-6,7-dimethoxy-isoquinoline-4-carbonitrile Formula: C18H14ClN3O2 MolecularWeight: 339.77566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN=C2NC3=CC(=CC=C3)Cl)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN=C2NC3=CC(=CC=C3)Cl)C#N)OC

InChI

InChI=1S/C18H14ClN3O2/c1-23-16-7-14-11(9-20)10-21-18(15(14)8-17(16)24-2)22-13-5-3-4-12(19)6-13/h3-8,10H,1-2H3,(H,21,22)