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

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(1-piperidyl)isoquinoline-4-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-piperidino-isoquinoline-4-carboxamide Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CN=C(C3=CC=CC=C32)N4CCCCC4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CN=C(C3=CC=CC=C32)N4CCCCC4)OCC

InChI

InChI=1S/C27H33N3O3/c1-3-32-24-13-12-20(18-25(24)33-4-2)14-15-28-27(31)23-19-29-26(30-16-8-5-9-17-30)22-11-7-6-10-21(22)23/h6-7,10-13,18-19H,3-5,8-9,14-17H2,1-2H3,(H,28,31)