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

Systemtic Name: 2-[4-(4-cyano-2-nitro-phenyl)-1,4-diazepan-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(4-cyano-2-nitro-phenyl)-1,4-diazepan-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-(4-cyano-2-nitrophenyl)-1,4-diazepan-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(4-cyano-2-nitrophenyl)-1,4-diazepan-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-(4-cyano-2-nitro-phenyl)-1,4-diazepan-1-yl]-N-isopropyl-acetamide Formula: C17H23N5O3 MolecularWeight: 345.39622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCCN(CC1)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)CN1CCCN(CC1)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O3/c1-13(2)19-17(23)12-20-6-3-7-21(9-8-20)15-5-4-14(11-18)10-16(15)22(24)25/h4-5,10,13H,3,6-9,12H2,1-2H3,(H,19,23)