1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one

Systemtic Name: 1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one Openeye Name: 1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one CAS Name: 1-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-2-(4-nitro-1-pyrazolyl)-1-butanone IUPAC Name: 1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one Traditional Name: 1-[4-(2-chlorobenzyl)piperazino]-2-(4-nitropyrazol-1-yl)butan-1-one Formula: C18H22ClN5O3 MolecularWeight: 391.85198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2Cl)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2Cl)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H22ClN5O3/c1-2-17(23-13-15(11-20-23)24(26)27)18(25)22-9-7-21(8-10-22)12-14-5-3-4-6-16(14)19/h3-6,11,13,17H,2,7-10,12H2,1H3