N-tert-butyl-2-[4-(3-nitro-4-phenylazanyl-phenyl)carbonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(3-nitro-4-phenylazanyl-phenyl)carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-[4-(4-anilino-3-nitro-benzoyl)-1,4-diazepan-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[(4-anilino-3-nitrophenyl)-oxomethyl]-1,4-diazepan-1-yl]-N-tert-butylacetamide IUPAC Name: 2-[4-(4-anilino-3-nitrobenzoyl)-1,4-diazepan-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-(4-anilino-3-nitro-benzoyl)-1,4-diazepan-1-yl]-N-tert-butyl-acetamide Formula: C24H31N5O4 MolecularWeight: 453.53404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCCN(CC1)C(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCCN(CC1)C(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H31N5O4/c1-24(2,3)26-22(30)17-27-12-7-13-28(15-14-27)23(31)18-10-11-20(21(16-18)29(32)33)25-19-8-5-4-6-9-19/h4-6,8-11,16,25H,7,12-15,17H2,1-3H3,(H,26,30)