N-(3,5-dimethylphenyl)-1-piperidin-1-yl-isoquinoline-4-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-1-(1-piperidyl)isoquinoline-4-carboxamide CAS Name: N-(3,5-dimethylphenyl)-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-1-piperidino-isoquinoline-4-carboxamide Formula: C23H25N3O MolecularWeight: 359.4641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O/c1-16-12-17(2)14-18(13-16)25-23(27)21-15-24-22(26-10-6-3-7-11-26)20-9-5-4-8-19(20)21/h4-5,8-9,12-15H,3,6-7,10-11H2,1-2H3,(H,25,27)