2-[4-(3,3-diphenylpropyl)piperazin-1-yl]-4,4-dimethyl-3H-isoquinolin-1-one

Systemtic Name: 2-[4-(3,3-diphenylpropyl)piperazin-1-yl]-4,4-dimethyl-3H-isoquinolin-1-one Openeye Name: 2-[4-(3,3-diphenylpropyl)piperazin-1-yl]-4,4-dimethyl-3H-isoquinolin-1-one CAS Name: 2-[4-(3,3-diphenylpropyl)-1-piperazinyl]-4,4-dimethyl-3H-isoquinolin-1-one IUPAC Name: 2-[4-(3,3-diphenylpropyl)piperazin-1-yl]-4,4-dimethyl-3H-isoquinolin-1-one Traditional Name: 2-[4-(3,3-diphenylpropyl)piperazino]-4,4-dimethyl-3H-isoquinolin-1-one Formula: C30H35N3O MolecularWeight: 453.6184

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(=O)C2=CC=CC=C21)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1(CN(C(=O)C2=CC=CC=C21)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C30H35N3O/c1-30(2)23-33(29(34)27-15-9-10-16-28(27)30)32-21-19-31(20-22-32)18-17-26(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-16,26H,17-23H2,1-2H3