N-tert-butyl-N-[3-[(3-nitrophenyl)carbamoylamino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-N-[3-[(3-nitrophenyl)carbamoylamino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanamide Openeye Name: N-tert-butyl-N-[3-[(3-nitrophenyl)carbamoylamino]-2-oxo-5,7-diphenyl-azepan-1-yl]acetamide CAS Name: N-tert-butyl-N-[3-[[(3-nitroanilino)-oxomethyl]amino]-2-oxo-5,7-diphenyl-1-azepanyl]acetamide IUPAC Name: N-tert-butyl-N-[3-[(3-nitrophenyl)carbamoylamino]-2-oxo-5,7-diphenylazepan-1-yl]acetamide Traditional Name: N-tert-butyl-N-[2-keto-3-[(3-nitrophenyl)carbamoylamino]-5,7-diphenyl-azepan-1-yl]acetamide Formula: C31H35N5O5 MolecularWeight: 557.6401

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C(C)(C)C)N1C(CC(CC(C1=O)NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N(C(C)(C)C)N1C(CC(CC(C1=O)NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H35N5O5/c1-21(37)35(31(2,3)4)34-28(23-14-9-6-10-15-23)19-24(22-12-7-5-8-13-22)18-27(29(34)38)33-30(39)32-25-16-11-17-26(20-25)36(40)41/h5-17,20,24,27-28H,18-19H2,1-4H3,(H2,32,33,39)