[4-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-yl]-(5-nitrothiophen-2-yl)methanone

Systemtic Name: [4-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: [4-(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)piperazin-1-yl]-(5-nitro-2-thienyl)methanone CAS Name: [4-[[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-1-piperazinyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: [4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: [4-(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)piperazino]-(5-nitro-2-thienyl)methanone Formula: C21H20ClN5O4S MolecularWeight: 473.9326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-])Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-])Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H20ClN5O4S/c1-14-18(19(22)26(23-14)13-15-5-3-2-4-6-15)21(29)25-11-9-24(10-12-25)20(28)16-7-8-17(32-16)27(30)31/h2-8H,9-13H2,1H3