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

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-1-(1-piperidyl)isoquinoline-4-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-(4-chlorobenzyl)-1-piperidino-isoquinoline-4-carboxamide Formula: C22H22ClN3O MolecularWeight: 379.88258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN3O/c23-17-10-8-16(9-11-17)14-25-22(27)20-15-24-21(26-12-4-1-5-13-26)19-7-3-2-6-18(19)20/h2-3,6-11,15H,1,4-5,12-14H2,(H,25,27)