4-(3,3-diphenylpropyl)-2-methyl-3-piperazin-1-yl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-(3,3-diphenylpropyl)-2-methyl-3-piperazin-1-yl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(3,3-diphenylpropyl)-2-methyl-3-piperazin-1-yl-3,4-dihydroisoquinolin-1-one CAS Name: 4-(3,3-diphenylpropyl)-2-methyl-3-(1-piperazinyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(3,3-diphenylpropyl)-2-methyl-3-piperazin-1-yl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(3,3-diphenylpropyl)-2-methyl-3-piperazino-3,4-dihydroisocarbostyril Formula: C29H33N3O MolecularWeight: 439.59182

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)CCC(C3=CC=CC=C3)C4=CC=CC=C4)N5CCNCC5

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)CCC(C3=CC=CC=C3)C4=CC=CC=C4)N5CCNCC5

InChI

InChI=1S/C29H33N3O/c1-31-28(32-20-18-30-19-21-32)26(25-14-8-9-15-27(25)29(31)33)17-16-24(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,24,26,28,30H,16-21H2,1H3