N-(3,5-dimethoxyphenyl)-1-piperidin-1-yl-isoquinoline-4-carboxamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-(3,5-dimethoxyphenyl)-1-(1-piperidyl)isoquinoline-4-carboxamide CAS Name: N-(3,5-dimethoxyphenyl)-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-(3,5-dimethoxyphenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-(3,5-dimethoxyphenyl)-1-piperidino-isoquinoline-4-carboxamide Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCCCC4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCCCC4)OC

InChI

InChI=1S/C23H25N3O3/c1-28-17-12-16(13-18(14-17)29-2)25-23(27)21-15-24-22(26-10-6-3-7-11-26)20-9-5-4-8-19(20)21/h4-5,8-9,12-15H,3,6-7,10-11H2,1-2H3,(H,25,27)