N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-piperidin-1-yl-isoquinoline-4-carboxamide

Systemtic Name: N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-[[1-[(2-chlorophenyl)methyl]-4-piperidyl]methyl]-1-(1-piperidyl)isoquinoline-4-carboxamide CAS Name: N-[[1-[(2-chlorophenyl)methyl]-4-piperidinyl]methyl]-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-[[1-(2-chlorobenzyl)-4-piperidyl]methyl]-1-piperidino-isoquinoline-4-carboxamide Formula: C28H33ClN4O MolecularWeight: 477.04082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NCC4CCN(CC4)CC5=CC=CC=C5Cl

Isomeric SMILES

C1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NCC4CCN(CC4)CC5=CC=CC=C5Cl

InChI

InChI=1S/C28H33ClN4O/c29-26-11-5-2-8-22(26)20-32-16-12-21(13-17-32)18-31-28(34)25-19-30-27(33-14-6-1-7-15-33)24-10-4-3-9-23(24)25/h2-5,8-11,19,21H,1,6-7,12-18,20H2,(H,31,34)