[4-(4-nitrophenyl)piperazin-1-yl]-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methanone

Systemtic Name: [4-(4-nitrophenyl)piperazin-1-yl]-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methanone Openeye Name: [1-benzyl-3-(2-thienyl)pyrazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [4-(4-nitrophenyl)-1-piperazinyl]-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methanone IUPAC Name: (1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [1-benzyl-3-(2-thienyl)pyrazol-4-yl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C25H23N5O3S/c31-25(28-14-12-27(13-15-28)20-8-10-21(11-9-20)30(32)33)22-18-29(17-19-5-2-1-3-6-19)26-24(22)23-7-4-16-34-23/h1-11,16,18H,12-15,17H2