1-methyl-4-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]-1,4-diazepane dihydrochloride

Systemtic Name: 1-methyl-4-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]-1,4-diazepane dihydrochloride Openeye Name: 1-methyl-4-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]-1,4-diazepane dihydrochloride CAS Name: 1-methyl-4-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinyl]methyl]-1,4-diazepane dihydrochloride IUPAC Name: 1-methyl-4-[[4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidin-5-yl]methyl]-1,4-diazepane dihydrochloride Traditional Name: 1-methyl-4-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]-1,4-diazepane dihydrochloride Formula: C24H29Cl2N5O2 MolecularWeight: 490.42536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1CN2CCCN(CC2)C)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CC1=NC(=NC(=C1CN2CCCN(CC2)C)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C24H27N5O2.2ClH/c1-18-22(17-28-13-7-12-27(2)14-15-28)23(20-10-6-11-21(16-20)29(30)31)26-24(25-18)19-8-4-3-5-9-19;;/h3-6,8-11,16H,7,12-15,17H2,1-2H3;2*1H