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

Systemtic Name: 2-[4-[4-(dimethylamino)-3-nitro-phenyl]carbonyl-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[4-(dimethylamino)-3-nitro-benzoyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[[4-(dimethylamino)-3-nitrophenyl]-oxomethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[4-(dimethylamino)-3-nitrobenzoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[4-(dimethylamino)-3-nitro-benzoyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide Formula: C18H27N5O4 MolecularWeight: 377.43808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O4/c1-19(2)15-7-6-14(12-16(15)23(26)27)18(25)22-9-5-8-21(10-11-22)13-17(24)20(3)4/h6-7,12H,5,8-11,13H2,1-4H3