N-[(4-methylphenyl)methyl]-1-piperidin-1-yl-isoquinoline-4-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: 1-(1-piperidyl)-N-(p-tolylmethyl)isoquinoline-4-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-(4-methylbenzyl)-1-piperidino-isoquinoline-4-carboxamide Formula: C23H25N3O MolecularWeight: 359.4641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CN=C(C3=CC=CC=C32)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CN=C(C3=CC=CC=C32)N4CCCCC4

InChI

InChI=1S/C23H25N3O/c1-17-9-11-18(12-10-17)15-25-23(27)21-16-24-22(26-13-5-2-6-14-26)20-8-4-3-7-19(20)21/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,25,27)