7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-4,4-dimethyl-2-(phenylmethyl)-3H-isoquinolin-1-one

Systemtic Name: 7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-4,4-dimethyl-2-(phenylmethyl)-3H-isoquinolin-1-one Openeye Name: 2-benzyl-7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-4,4-dimethyl-3H-isoquinolin-1-one CAS Name: 7-[4-(3,3-diphenylpropyl)-1-piperazinyl]-4,4-dimethyl-2-(phenylmethyl)-3H-isoquinolin-1-one IUPAC Name: 2-benzyl-7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-4,4-dimethyl-3H-isoquinolin-1-one Traditional Name: 2-benzyl-7-[4-(3,3-diphenylpropyl)piperazino]-4,4-dimethyl-3H-isoquinolin-1-one Formula: C37H41N3O MolecularWeight: 543.74094

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(=O)C2=C1C=CC(=C2)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC=CC=C6)C

Isomeric SMILES

CC1(CN(C(=O)C2=C1C=CC(=C2)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC=CC=C6)C

InChI

InChI=1S/C37H41N3O/c1-37(2)28-40(27-29-12-6-3-7-13-29)36(41)34-26-32(18-19-35(34)37)39-24-22-38(23-25-39)21-20-33(30-14-8-4-9-15-30)31-16-10-5-11-17-31/h3-19,26,33H,20-25,27-28H2,1-2H3