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

Systemtic Name: N-[(2-chlorophenyl)methyl]-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-1-(1-piperidyl)isoquinoline-4-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-(2-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=CC=C4Cl

Isomeric SMILES

C1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NCC4=CC=CC=C4Cl

InChI

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