7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-5-fluoranyl-2-(phenylmethyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-5-fluoranyl-2-(phenylmethyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 2-benzyl-7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-5-fluoro-3,4-dihydroisoquinolin-1-one CAS Name: 7-[4-(3,3-diphenylpropyl)-1-piperazinyl]-5-fluoro-2-(phenylmethyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-benzyl-7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-5-fluoro-3,4-dihydroisoquinolin-1-one Traditional Name: 2-benzyl-7-[4-(3,3-diphenylpropyl)piperazino]-5-fluoro-3,4-dihydroisocarbostyril Formula: C35H36FN3O MolecularWeight: 533.678243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=CC(=CC(=C21)F)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1CN(C(=O)C2=CC(=CC(=C21)F)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC=CC=C6

InChI

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