[5-[4,4-bis(4-fluorophenyl)butyl]-2-(phenylcarbonyl)-1,2,5-triazepan-1-yl]-phenyl-methanone hydrochloride

Systemtic Name: [5-[4,4-bis(4-fluorophenyl)butyl]-2-(phenylcarbonyl)-1,2,5-triazepan-1-yl]-phenyl-methanone hydrochloride Openeye Name: [2-benzoyl-5-[4,4-bis(4-fluorophenyl)butyl]-1,2,5-triazepan-1-yl]-phenyl-methanone hydrochloride CAS Name: [2-benzoyl-5-[4,4-bis(4-fluorophenyl)butyl]-1,2,5-triazepan-1-yl]-phenylmethanone hydrochloride IUPAC Name: [2-benzoyl-5-[4,4-bis(4-fluorophenyl)butyl]-1,2,5-triazepan-1-yl]-phenylmethanone hydrochloride Traditional Name: [2-benzoyl-5-[4,4-bis(4-fluorophenyl)butyl]-1,2,5-triazepan-1-yl]-phenyl-methanone hydrochloride Formula: C34H34ClF2N3O2 MolecularWeight: 590.102466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5.Cl

Isomeric SMILES

C1CN(N(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5.Cl

InChI

InChI=1S/C34H33F2N3O2.ClH/c35-30-17-13-26(14-18-30)32(27-15-19-31(36)20-16-27)12-7-21-37-22-24-38(33(40)28-8-3-1-4-9-28)39(25-23-37)34(41)29-10-5-2-6-11-29;/h1-6,8-11,13-20,32H,7,12,21-25H2;1H