7-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-hydroxyethylamino)-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one hydrochloride

Systemtic Name: 7-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-hydroxyethylamino)-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one hydrochloride Openeye Name: 7-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-hydroxyethylamino)-4-isopropyl-cyclohepta-2,4,6-trien-1-one hydrochloride CAS Name: 7-[[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]methyl]-2-(2-hydroxyethylamino)-4-propan-2-yl-1-cyclohepta-2,4,6-trienone hydrochloride IUPAC Name: 7-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-hydroxyethylamino)-4-propan-2-ylcyclohepta-2,4,6-trien-1-one hydrochloride Traditional Name: 7-[[4-[bis(4-fluorophenyl)methyl]piperazino]methyl]-2-(2-hydroxyethylamino)-4-isopropyl-cyclohepta-2,4,6-trien-1-one hydrochloride Formula: C30H36ClF2N3O2 MolecularWeight: 544.075546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C(=O)C(=C1)NCCO)CN2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl

Isomeric SMILES

CC(C)C1=CC=C(C(=O)C(=C1)NCCO)CN2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl

InChI

InChI=1S/C30H35F2N3O2.ClH/c1-21(2)24-3-4-25(30(37)28(19-24)33-13-18-36)20-34-14-16-35(17-15-34)29(22-5-9-26(31)10-6-22)23-7-11-27(32)12-8-23;/h3-12,19,21,29,36H,13-18,20H2,1-2H3,(H,33,37);1H