1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-(3-methylbutylamino)-3-phenyl-propan-1-one dihydrochloride

Systemtic Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-(3-methylbutylamino)-3-phenyl-propan-1-one dihydrochloride Openeye Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-(isopentylamino)-3-phenyl-propan-1-one dihydrochloride CAS Name: 1-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-2-(3-methylbutylamino)-3-phenyl-1-propanone dihydrochloride IUPAC Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-(3-methylbutylamino)-3-phenylpropan-1-one dihydrochloride Traditional Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazino]-2-(isoamylamino)-3-phenyl-propan-1-one dihydrochloride Formula: C31H39Cl2F2N3O MolecularWeight: 578.563666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl.Cl

Isomeric SMILES

CC(C)CCNC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl.Cl

InChI

InChI=1S/C31H37F2N3O.2ClH/c1-23(2)16-17-34-29(22-24-6-4-3-5-7-24)31(37)36-20-18-35(19-21-36)30(25-8-12-27(32)13-9-25)26-10-14-28(33)15-11-26;;/h3-15,23,29-30,34H,16-22H2,1-2H3;2*1H