4-imidazol-1-yl-3-nitro-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide

Systemtic Name: 4-imidazol-1-yl-3-nitro-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide Openeye Name: 4-imidazol-1-yl-3-nitro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide CAS Name: 4-(1-imidazolyl)-3-nitro-N-[3-(2-oxo-1-azepanyl)propyl]benzamide IUPAC Name: 4-imidazol-1-yl-3-nitro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide Traditional Name: 4-imidazol-1-yl-N-[3-(2-ketoazepan-1-yl)propyl]-3-nitro-benzamide Formula: C19H23N5O4 MolecularWeight: 385.41702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O4/c25-18-5-2-1-3-10-22(18)11-4-8-21-19(26)15-6-7-16(17(13-15)24(27)28)23-12-9-20-14-23/h6-7,9,12-14H,1-5,8,10-11H2,(H,21,26)