1-(3-methyl-5-nitro-imidazol-4-yl)-4-[(4-methylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-[(4-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-(p-tolylmethyl)-1,4-diazepane CAS Name: 1-(3-methyl-5-nitro-4-imidazolyl)-4-[(4-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-(3-methyl-5-nitroimidazol-4-yl)-4-[(4-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(4-methylbenzyl)-4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-diazepane Formula: C17H23N5O2 MolecularWeight: 329.39682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C3=C(N=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C3=C(N=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O2/c1-14-4-6-15(7-5-14)12-20-8-3-9-21(11-10-20)17-16(22(23)24)18-13-19(17)2/h4-7,13H,3,8-12H2,1-2H3