N-carbamimidoyl-N-[4-(1H-pyrrol-2-ylcarbonyl)piperazin-1-yl]-3-(trifluoromethyl)benzamide hydrochloride

Systemtic Name: N-carbamimidoyl-N-[4-(1H-pyrrol-2-ylcarbonyl)piperazin-1-yl]-3-(trifluoromethyl)benzamide hydrochloride Openeye Name: N-carbamimidoyl-N-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-3-(trifluoromethyl)benzamide hydrochloride CAS Name: N-carbamimidoyl-N-[4-[oxo(1H-pyrrol-2-yl)methyl]-1-piperazinyl]-3-(trifluoromethyl)benzamide hydrochloride IUPAC Name: N-carbamimidoyl-N-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-3-(trifluoromethyl)benzamide hydrochloride Traditional Name: N-amidino-N-[4-(1H-pyrrole-2-carbonyl)piperazino]-3-(trifluoromethyl)benzamide hydrochloride Formula: C18H20ClF3N6O2 MolecularWeight: 444.83861

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CN2)N(C(=O)C3=CC(=CC=C3)C(F)(F)F)C(=N)N.Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CN2)N(C(=O)C3=CC(=CC=C3)C(F)(F)F)C(=N)N.Cl

InChI

InChI=1S/C18H19F3N6O2.ClH/c19-18(20,21)13-4-1-3-12(11-13)15(28)27(17(22)23)26-9-7-25(8-10-26)16(29)14-5-2-6-24-14;/h1-6,11,24H,7-10H2,(H3,22,23);1H