N-[bis(azanyl)methylidene]-4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]-3-(trifluoromethyl)benzamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]-3-(trifluoromethyl)benzamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-4-[4-(3-methylbenzoyl)piperazin-1-yl]-3-(trifluoromethyl)benzamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-4-[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]-3-(trifluoromethyl)benzamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-4-[4-(3-methylbenzoyl)piperazin-1-yl]-3-(trifluoromethyl)benzamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-4-(4-m-toluoylpiperazino)-3-(trifluoromethyl)benzamide; mesylic acid Formula: C22H26F3N5O5S MolecularWeight: 529.53255

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N=C(N)N)C(F)(F)F.CS(=O)(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N=C(N)N)C(F)(F)F.CS(=O)(=O)O

InChI

InChI=1S/C21H22F3N5O2.CH4O3S/c1-13-3-2-4-15(11-13)19(31)29-9-7-28(8-10-29)17-6-5-14(18(30)27-20(25)26)12-16(17)21(22,23)24;1-5(2,3)4/h2-6,11-12H,7-10H2,1H3,(H4,25,26,27,30);1H3,(H,2,3,4)