1-(3-methyl-5-nitro-imidazol-4-yl)-4-(phenylmethyl)-1,4-diazepane

Systemtic Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-diazepane CAS Name: 1-(3-methyl-5-nitro-4-imidazolyl)-4-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-4-(3-methyl-5-nitroimidazol-4-yl)-1,4-diazepane Traditional Name: 1-benzyl-4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-diazepane Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N2CCCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N2CCCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O2/c1-18-13-17-15(21(22)23)16(18)20-9-5-8-19(10-11-20)12-14-6-3-2-4-7-14/h2-4,6-7,13H,5,8-12H2,1H3