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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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