3-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]azepan-2-one

Systemtic Name: 3-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]azepan-2-one Openeye Name: 3-[isobutyl-[(4-nitrophenyl)methyl]amino]azepan-2-one CAS Name: 3-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-2-azepanone IUPAC Name: 3-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]azepan-2-one Traditional Name: 3-[isobutyl-(4-nitrobenzyl)amino]azepan-2-one Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CCCCNC2=O

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CCCCNC2=O

InChI

InChI=1S/C17H25N3O3/c1-13(2)11-19(16-5-3-4-10-18-17(16)21)12-14-6-8-15(9-7-14)20(22)23/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,18,21)