3-(4-nitroimidazol-1-yl)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propan-1-one

Systemtic Name: 3-(4-nitroimidazol-1-yl)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propan-1-one Openeye Name: 3-(4-nitroimidazol-1-yl)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propan-1-one CAS Name: 3-(4-nitro-1-imidazolyl)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-propanone IUPAC Name: 3-(4-nitroimidazol-1-yl)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propan-1-one Traditional Name: 3-(4-nitroimidazol-1-yl)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propan-1-one Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C2=CC=CC=C2C1)C(=O)CCN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C2=CC=CC=C2C1)C(=O)CCN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O3/c21-16(8-10-18-11-15(17-12-18)20(22)23)19-9-4-3-6-13-5-1-2-7-14(13)19/h1-2,5,7,11-12H,3-4,6,8-10H2