[4-(2,4-dimethylphenyl)piperazin-1-yl]-(1-piperidin-1-ylisoquinolin-4-yl)methanone

Systemtic Name: [4-(2,4-dimethylphenyl)piperazin-1-yl]-(1-piperidin-1-ylisoquinolin-4-yl)methanone Openeye Name: [4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(1-piperidyl)-4-isoquinolyl]methanone CAS Name: [4-(2,4-dimethylphenyl)-1-piperazinyl]-[1-(1-piperidinyl)-4-isoquinolinyl]methanone IUPAC Name: [4-(2,4-dimethylphenyl)piperazin-1-yl]-(1-piperidin-1-ylisoquinolin-4-yl)methanone Traditional Name: [4-(2,4-dimethylphenyl)piperazino]-(1-piperidino-4-isoquinolyl)methanone Formula: C27H32N4O MolecularWeight: 428.56918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CN=C(C4=CC=CC=C43)N5CCCCC5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CN=C(C4=CC=CC=C43)N5CCCCC5)C

InChI

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