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

Systemtic Name: N-(3-methylphenyl)-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-(m-tolyl)-1-(1-piperidyl)isoquinoline-4-carboxamide CAS Name: N-(3-methylphenyl)-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-(3-methylphenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-(m-tolyl)-1-piperidino-isoquinoline-4-carboxamide Formula: C22H23N3O MolecularWeight: 345.43752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCCCC4

InChI

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