3-[[4-[4-(cyclopropylmethylcarbamoylamino)-3-fluoranyl-phenyl]carbonylpiperazin-1-yl]methyl]-N-[1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl]benzamide hydrochloride

Systemtic Name: 3-[[4-[4-(cyclopropylmethylcarbamoylamino)-3-fluoranyl-phenyl]carbonylpiperazin-1-yl]methyl]-N-[1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl]benzamide hydrochloride Openeye Name: 3-[[4-[4-(cyclopropylmethylcarbamoylamino)-3-fluoro-benzoyl]piperazin-1-yl]methyl]-N-(2,2,2-trifluoro-1,1-dimethyl-ethyl)benzamide hydrochloride CAS Name: 3-[[4-[[4-[[(cyclopropylmethylamino)-oxomethyl]amino]-3-fluorophenyl]-oxomethyl]-1-piperazinyl]methyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide hydrochloride IUPAC Name: 3-[[4-[4-(cyclopropylmethylcarbamoylamino)-3-fluorobenzoyl]piperazin-1-yl]methyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzamide hydrochloride Traditional Name: 3-[[4-[4-(cyclopropylmethylcarbamoylamino)-3-fluoro-benzoyl]piperazino]methyl]-N-(2,2,2-trifluoro-1,1-dimethyl-ethyl)benzamide hydrochloride Formula: C28H34ClF4N5O3 MolecularWeight: 600.047873

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(F)(F)F)NC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC(=O)NCC4CC4)F.Cl

Isomeric SMILES

CC(C)(C(F)(F)F)NC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC(=O)NCC4CC4)F.Cl

InChI

InChI=1S/C28H33F4N5O3.ClH/c1-27(2,28(30,31)32)35-24(38)20-5-3-4-19(14-20)17-36-10-12-37(13-11-36)25(39)21-8-9-23(22(29)15-21)34-26(40)33-16-18-6-7-18;/h3-5,8-9,14-15,18H,6-7,10-13,16-17H2,1-2H3,(H,35,38)(H2,33,34,40);1H