7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-4-fluoranyl-2-(phenylmethyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-4-fluoranyl-2-(phenylmethyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 2-benzyl-7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-4-fluoro-3,4-dihydroisoquinolin-1-one CAS Name: 7-[4-(3,3-diphenylpropyl)-1-piperazinyl]-4-fluoro-2-(phenylmethyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-benzyl-7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-4-fluoro-3,4-dihydroisoquinolin-1-one Traditional Name: 2-benzyl-7-[4-(3,3-diphenylpropyl)piperazino]-4-fluoro-3,4-dihydroisocarbostyril Formula: C35H36FN3O MolecularWeight: 533.678243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)C(CN(C5=O)CC6=CC=CC=C6)F

Isomeric SMILES

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)C(CN(C5=O)CC6=CC=CC=C6)F

InChI

InChI=1S/C35H36FN3O/c36-34-26-39(25-27-10-4-1-5-11-27)35(40)33-24-30(16-17-32(33)34)38-22-20-37(21-23-38)19-18-31(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-17,24,31,34H,18-23,25-26H2