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

Systemtic Name: N,N-dimethyl-2-[4-[4-(methylamino)-3-nitro-phenyl]carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N,N-dimethyl-2-[4-[4-(methylamino)-3-nitro-benzoyl]-1,4-diazepan-1-yl]acetamide CAS Name: N,N-dimethyl-2-[4-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N,N-dimethyl-2-[4-[4-(methylamino)-3-nitrobenzoyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N,N-dimethyl-2-[4-[4-(methylamino)-3-nitro-benzoyl]-1,4-diazepan-1-yl]acetamide Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O4/c1-18-14-6-5-13(11-15(14)22(25)26)17(24)21-8-4-7-20(9-10-21)12-16(23)19(2)3/h5-6,11,18H,4,7-10,12H2,1-3H3