1-[2-(4-chlorophenyl)morpholin-4-yl]-6,7-dimethoxy-isoquinoline-4-carbonitrile

Systemtic Name: 1-[2-(4-chlorophenyl)morpholin-4-yl]-6,7-dimethoxy-isoquinoline-4-carbonitrile Openeye Name: 1-[2-(4-chlorophenyl)morpholin-4-yl]-6,7-dimethoxy-isoquinoline-4-carbonitrile CAS Name: 1-[2-(4-chlorophenyl)-4-morpholinyl]-6,7-dimethoxy-4-isoquinolinecarbonitrile IUPAC Name: 1-[2-(4-chlorophenyl)morpholin-4-yl]-6,7-dimethoxyisoquinoline-4-carbonitrile Traditional Name: 1-[2-(4-chlorophenyl)morpholino]-6,7-dimethoxy-isoquinoline-4-carbonitrile Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN=C2N3CCOC(C3)C4=CC=C(C=C4)Cl)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN=C2N3CCOC(C3)C4=CC=C(C=C4)Cl)C#N)OC

InChI

InChI=1S/C22H20ClN3O3/c1-27-19-9-17-15(11-24)12-25-22(18(17)10-20(19)28-2)26-7-8-29-21(13-26)14-3-5-16(23)6-4-14/h3-6,9-10,12,21H,7-8,13H2,1-2H3