1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-(3-nitropyrazol-1-yl)propan-1-one

Systemtic Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-(3-nitropyrazol-1-yl)propan-1-one Openeye Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-(3-nitropyrazol-1-yl)propan-1-one CAS Name: 1-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-3-(3-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-(3-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-[4-(3-chlorobenzyl)piperazino]-3-(3-nitropyrazol-1-yl)propan-1-one Formula: C17H20ClN5O3 MolecularWeight: 377.8254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Cl)C(=O)CCN3C=CC(=N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Cl)C(=O)CCN3C=CC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H20ClN5O3/c18-15-3-1-2-14(12-15)13-20-8-10-21(11-9-20)17(24)5-7-22-6-4-16(19-22)23(25)26/h1-4,6,12H,5,7-11,13H2