3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-phenethyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-phenethyl-3,4-dihydroisoquinolin-1-one Openeye Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-phenethyl-3,4-dihydroisoquinolin-1-one CAS Name: 3-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-phenethyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-phenethyl-3,4-dihydroisoquinolin-1-one Traditional Name: 3-[4-(3,3-diphenylpropyl)piperazino]-2-phenethyl-3,4-dihydroisocarbostyril Formula: C36H39N3O MolecularWeight: 529.71436

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4CC5=CC=CC=C5C(=O)N4CCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4CC5=CC=CC=C5C(=O)N4CCC6=CC=CC=C6

InChI

InChI=1S/C36H39N3O/c40-36-34-19-11-10-18-32(34)28-35(39(36)23-20-29-12-4-1-5-13-29)38-26-24-37(25-27-38)22-21-33(30-14-6-2-7-15-30)31-16-8-3-9-17-31/h1-19,33,35H,20-28H2