azepan-1-yl-(4-imidazol-1-yl-3-nitro-phenyl)methanone

Systemtic Name: azepan-1-yl-(4-imidazol-1-yl-3-nitro-phenyl)methanone Openeye Name: azepan-1-yl-(4-imidazol-1-yl-3-nitro-phenyl)methanone CAS Name: 1-azepanyl-[4-(1-imidazolyl)-3-nitrophenyl]methanone IUPAC Name: azepan-1-yl-(4-imidazol-1-yl-3-nitrophenyl)methanone Traditional Name: azepan-1-yl-(4-imidazol-1-yl-3-nitro-phenyl)methanone Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O3/c21-16(18-8-3-1-2-4-9-18)13-5-6-14(15(11-13)20(22)23)19-10-7-17-12-19/h5-7,10-12H,1-4,8-9H2