N-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperidin-1-yl-isoquinoline-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-piperidyl)isoquinoline-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-homoveratryl-1-piperidino-isoquinoline-4-carboxamide Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3/c1-30-22-11-10-18(16-23(22)31-2)12-13-26-25(29)21-17-27-24(28-14-6-3-7-15-28)20-9-5-4-8-19(20)21/h4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3,(H,26,29)