N-[1-[[1-(tert-butylamino)-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azepane-1-carboxamide

Systemtic Name: N-[1-[[1-(tert-butylamino)-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azepane-1-carboxamide Openeye Name: N-[1-[[2-(tert-butylamino)-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]azepane-1-carboxamide CAS Name: N-[1-[[1-(tert-butylamino)-3-(4-nitrophenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-azepanecarboxamide IUPAC Name: N-[1-[[1-(tert-butylamino)-3-(4-nitrophenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]azepane-1-carboxamide Traditional Name: N-[1-[[2-(tert-butylamino)-2-keto-1-(4-nitrobenzyl)ethyl]carbamoyl]-3-methyl-butyl]azepane-1-carboxamide Formula: C26H41N5O5 MolecularWeight: 503.63424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC(C)(C)C)NC(=O)N2CCCCCC2

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC(C)(C)C)NC(=O)N2CCCCCC2

InChI

InChI=1S/C26H41N5O5/c1-18(2)16-21(28-25(34)30-14-8-6-7-9-15-30)23(32)27-22(24(33)29-26(3,4)5)17-19-10-12-20(13-11-19)31(35)36/h10-13,18,21-22H,6-9,14-17H2,1-5H3,(H,27,32)(H,28,34)(H,29,33)