1-(azepan-1-yl)-3-(4-nitropyrazol-1-yl)propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-(4-nitropyrazol-1-yl)propan-1-one Openeye Name: 1-(azepan-1-yl)-3-(4-nitropyrazol-1-yl)propan-1-one CAS Name: 1-(1-azepanyl)-3-(4-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-(4-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-(azepan-1-yl)-3-(4-nitropyrazol-1-yl)propan-1-one Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CCN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H18N4O3/c17-12(14-6-3-1-2-4-7-14)5-8-15-10-11(9-13-15)16(18)19/h9-10H,1-8H2