N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1-piperidin-1-yl-isoquinoline-4-carboxamide

Systemtic Name: N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-[[1-(m-tolylmethyl)-4-piperidyl]methyl]-1-(1-piperidyl)isoquinoline-4-carboxamide CAS Name: N-[[1-[(3-methylphenyl)methyl]-4-piperidinyl]methyl]-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-[[1-(3-methylbenzyl)-4-piperidyl]methyl]-1-piperidino-isoquinoline-4-carboxamide Formula: C29H36N4O MolecularWeight: 456.62234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCC(CC2)CNC(=O)C3=CN=C(C4=CC=CC=C43)N5CCCCC5

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC(CC2)CNC(=O)C3=CN=C(C4=CC=CC=C43)N5CCCCC5

InChI

InChI=1S/C29H36N4O/c1-22-8-7-9-24(18-22)21-32-16-12-23(13-17-32)19-31-29(34)27-20-30-28(33-14-5-2-6-15-33)26-11-4-3-10-25(26)27/h3-4,7-11,18,20,23H,2,5-6,12-17,19,21H2,1H3,(H,31,34)