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

Systemtic Name: 1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-(2-nitrophenyl)ethanone Openeye Name: 2-(2-nitrophenyl)-1-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-(2-nitrophenyl)ethanone IUPAC Name: 1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-(2-nitrophenyl)ethanone Traditional Name: 1-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]-2-(2-nitrophenyl)ethanone Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3/c1-17-7-9-18(10-8-17)16-22-11-4-12-23(14-13-22)21(25)15-19-5-2-3-6-20(19)24(26)27/h2-3,5-10H,4,11-16H2,1H3