(4-imidazol-1-yl-3-nitro-phenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-imidazol-1-yl-3-nitro-phenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (4-imidazol-1-yl-3-nitro-phenyl)-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(1-imidazolyl)-3-nitrophenyl]-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (4-imidazol-1-yl-3-nitrophenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (4-imidazol-1-yl-3-nitro-phenyl)-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O3/c1-18-5-2-3-6-20(18)16-25-10-4-11-26(14-13-25)23(29)19-7-8-21(22(15-19)28(30)31)27-12-9-24-17-27/h2-3,5-9,12,15,17H,4,10-11,13-14,16H2,1H3