N-(2-methylphenyl)-1-piperidin-1-yl-isoquinoline-4-carboxamide

Systemtic Name: N-(2-methylphenyl)-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-(o-tolyl)-1-(1-piperidyl)isoquinoline-4-carboxamide CAS Name: N-(2-methylphenyl)-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-(2-methylphenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-(o-tolyl)-1-piperidino-isoquinoline-4-carboxamide Formula: C22H23N3O MolecularWeight: 345.43752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCCCC4

InChI

InChI=1S/C22H23N3O/c1-16-9-3-6-12-20(16)24-22(26)19-15-23-21(25-13-7-2-8-14-25)18-11-5-4-10-17(18)19/h3-6,9-12,15H,2,7-8,13-14H2,1H3,(H,24,26)