N,N-dimethyl-2-[4-(3-methyl-4-nitro-phenyl)carbonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N,N-dimethyl-2-[4-(3-methyl-4-nitro-phenyl)carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N,N-dimethyl-2-[4-(3-methyl-4-nitro-benzoyl)-1,4-diazepan-1-yl]acetamide CAS Name: N,N-dimethyl-2-[4-[(3-methyl-4-nitrophenyl)-oxomethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N,N-dimethyl-2-[4-(3-methyl-4-nitrobenzoyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N,N-dimethyl-2-[4-(3-methyl-4-nitro-benzoyl)-1,4-diazepan-1-yl]acetamide Formula: C17H24N4O4 MolecularWeight: 348.39686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCCN(CC2)CC(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCCN(CC2)CC(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O4/c1-13-11-14(5-6-15(13)21(24)25)17(23)20-8-4-7-19(9-10-20)12-16(22)18(2)3/h5-6,11H,4,7-10,12H2,1-3H3