[4-[(4-nitropyrazol-1-yl)methyl]phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [4-[(4-nitropyrazol-1-yl)methyl]phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: [4-[(4-nitropyrazol-1-yl)methyl]phenyl]-[4-(3-pyridylmethyl)piperazin-1-yl]methanone CAS Name: [4-[(4-nitro-1-pyrazolyl)methyl]phenyl]-[4-(3-pyridinylmethyl)-1-piperazinyl]methanone IUPAC Name: [4-[(4-nitropyrazol-1-yl)methyl]phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone Traditional Name: [4-[(4-nitropyrazol-1-yl)methyl]phenyl]-[4-(3-pyridylmethyl)piperazino]methanone Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C(=O)C3=CC=C(C=C3)CN4C=C(C=N4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C(=O)C3=CC=C(C=C3)CN4C=C(C=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O3/c28-21(25-10-8-24(9-11-25)14-18-2-1-7-22-12-18)19-5-3-17(4-6-19)15-26-16-20(13-23-26)27(29)30/h1-7,12-13,16H,8-11,14-15H2