1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-(4-nitropyrazol-1-yl)ethanone

Systemtic Name: 1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-(4-nitropyrazol-1-yl)ethanone Openeye Name: 2-(4-nitropyrazol-1-yl)-1-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-(4-nitro-1-pyrazolyl)ethanone IUPAC Name: 1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-(4-nitropyrazol-1-yl)ethanone Traditional Name: 1-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]-2-(4-nitropyrazol-1-yl)ethanone Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O3/c1-15-5-2-3-6-16(15)12-20-7-4-8-21(10-9-20)18(24)14-22-13-17(11-19-22)23(25)26/h2-3,5-6,11,13H,4,7-10,12,14H2,1H3