[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-piperidin-1-ylisoquinolin-4-yl)methanone

Systemtic Name: [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-piperidin-1-ylisoquinolin-4-yl)methanone Openeye Name: [3-methyl-4-(m-tolyl)piperazin-1-yl]-[1-(1-piperidyl)-4-isoquinolyl]methanone CAS Name: [3-methyl-4-(3-methylphenyl)-1-piperazinyl]-[1-(1-piperidinyl)-4-isoquinolinyl]methanone IUPAC Name: [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-piperidin-1-ylisoquinolin-4-yl)methanone Traditional Name: [3-methyl-4-(m-tolyl)piperazino]-(1-piperidino-4-isoquinolyl)methanone Formula: C27H32N4O MolecularWeight: 428.56918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CN=C(C4=CC=CC=C43)N5CCCCC5

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CN=C(C4=CC=CC=C43)N5CCCCC5

InChI

InChI=1S/C27H32N4O/c1-20-9-8-10-22(17-20)31-16-15-30(19-21(31)2)27(32)25-18-28-26(29-13-6-3-7-14-29)24-12-5-4-11-23(24)25/h4-5,8-12,17-18,21H,3,6-7,13-16,19H2,1-2H3