2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]-N-(4-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[4-[2-(tert-butylamino)-2-oxo-ethyl]-1,4-diazepan-1-yl]-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[4-[2-(tert-butylamino)-2-keto-ethyl]-1,4-diazepan-1-yl]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C20H31N5O4 MolecularWeight: 405.49124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2CCCN(CC2)CC(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2CCCN(CC2)CC(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H31N5O4/c1-15-6-7-16(12-17(15)25(28)29)21-18(26)13-23-8-5-9-24(11-10-23)14-19(27)22-20(2,3)4/h6-7,12H,5,8-11,13-14H2,1-4H3,(H,21,26)(H,22,27)