N-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-isoquinoline-4-carboxamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-isoquinoline-4-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-1-morpholino-isoquinoline-4-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-4-isoquinolinecarboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-1-morpholino-isoquinoline-4-carboxamide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCOCC4)OC

InChI

InChI=1S/C22H23N3O4/c1-27-19-8-7-15(13-20(19)28-2)24-22(26)18-14-23-21(25-9-11-29-12-10-25)17-6-4-3-5-16(17)18/h3-8,13-14H,9-12H2,1-2H3,(H,24,26)