[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C22H22ClN5O3 MolecularWeight: 439.89478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H22ClN5O3/c1-16-20(21(23)27(24-16)15-17-5-3-2-4-6-17)22(29)26-13-11-25(12-14-26)18-7-9-19(10-8-18)28(30)31/h2-10H,11-15H2,1H3