N-(4-methoxyphenyl)-1-piperidin-1-yl-isoquinoline-4-carboxamide

Systemtic Name: N-(4-methoxyphenyl)-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-(4-methoxyphenyl)-1-(1-piperidyl)isoquinoline-4-carboxamide CAS Name: N-(4-methoxyphenyl)-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-(4-methoxyphenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-(4-methoxyphenyl)-1-piperidino-isoquinoline-4-carboxamide Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2/c1-27-17-11-9-16(10-12-17)24-22(26)20-15-23-21(25-13-5-2-6-14-25)19-8-4-3-7-18(19)20/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,24,26)