1-(azepan-1-yl)-2-[4-[1-(4-nitrophenyl)pyrazol-4-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[1-(4-nitrophenyl)pyrazol-4-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[1-(4-nitrophenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[[1-(4-nitrophenyl)-4-pyrazolyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[1-(4-nitrophenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[1-(4-nitrophenyl)pyrazole-4-carbonyl]piperazino]ethanone Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H28N6O4/c29-21(25-9-3-1-2-4-10-25)17-24-11-13-26(14-12-24)22(30)18-15-23-27(16-18)19-5-7-20(8-6-19)28(31)32/h5-8,15-16H,1-4,9-14,17H2