2-[4-(3-methyl-2-nitro-phenyl)carbonyl-1,4-diazepan-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(3-methyl-2-nitro-phenyl)carbonyl-1,4-diazepan-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-(3-methyl-2-nitro-benzoyl)-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[(3-methyl-2-nitrophenyl)-oxomethyl]-1,4-diazepan-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(3-methyl-2-nitrobenzoyl)-1,4-diazepan-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-(3-methyl-2-nitro-benzoyl)-1,4-diazepan-1-yl]acetamide Formula: C18H26N4O4 MolecularWeight: 362.42344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCCN(CC2)CC(=O)NC(C)C

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCCN(CC2)CC(=O)NC(C)C

InChI

InChI=1S/C18H26N4O4/c1-13(2)19-16(23)12-20-8-5-9-21(11-10-20)18(24)15-7-4-6-14(3)17(15)22(25)26/h4,6-7,13H,5,8-12H2,1-3H3,(H,19,23)