N-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-2,6-dimethyl-3-nitro-pyridin-4-amine trihydrochloride

Systemtic Name: N-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-2,6-dimethyl-3-nitro-pyridin-4-amine trihydrochloride Openeye Name: N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-2,6-dimethyl-3-nitro-pyridin-4-amine trihydrochloride CAS Name: N-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-2,6-dimethyl-3-nitro-4-pyridinamine trihydrochloride IUPAC Name: N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-2,6-dimethyl-3-nitropyridin-4-amine trihydrochloride Traditional Name: 3-(4-benzhydrylpiperazino)propyl-(2,6-dimethyl-3-nitro-4-pyridyl)amine trihydrochloride Formula: C27H36Cl3N5O2 MolecularWeight: 568.96604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)NCCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-])C.Cl.Cl.Cl

Isomeric SMILES

CC1=NC(=C(C(=C1)NCCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-])C.Cl.Cl.Cl

InChI

InChI=1S/C27H33N5O2.3ClH/c1-21-20-25(26(32(33)34)22(2)29-21)28-14-9-15-30-16-18-31(19-17-30)27(23-10-5-3-6-11-23)24-12-7-4-8-13-24;;;/h3-8,10-13,20,27H,9,14-19H2,1-2H3,(H,28,29);3*1H