3-nitro-N-[1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]-N-pyridin-2-yl-benzamide trihydrochloride

Systemtic Name: 3-nitro-N-[1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]-N-pyridin-2-yl-benzamide trihydrochloride Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-1-methyl-ethyl]-3-nitro-N-(2-pyridyl)benzamide trihydrochloride CAS Name: 3-nitro-N-[1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]-N-(2-pyridinyl)benzamide trihydrochloride IUPAC Name: N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-nitro-N-pyridin-2-ylbenzamide trihydrochloride Traditional Name: N-[2-(4-benzylpiperazino)-1-methyl-ethyl]-3-nitro-N-(2-pyridyl)benzamide trihydrochloride Formula: C26H32Cl3N5O3 MolecularWeight: 568.92298

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)CC2=CC=CC=C2)N(C3=CC=CC=N3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-].Cl.Cl.Cl

Isomeric SMILES

CC(CN1CCN(CC1)CC2=CC=CC=C2)N(C3=CC=CC=N3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-].Cl.Cl.Cl

InChI

InChI=1S/C26H29N5O3.3ClH/c1-21(19-28-14-16-29(17-15-28)20-22-8-3-2-4-9-22)30(25-12-5-6-13-27-25)26(32)23-10-7-11-24(18-23)31(33)34;;;/h2-13,18,21H,14-17,19-20H2,1H3;3*1H