[4-[(2-nitrophenoxy)methyl]thiophen-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [4-[(2-nitrophenoxy)methyl]thiophen-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone Openeye Name: [4-[(2-nitrophenoxy)methyl]-2-thienyl]-[4-(2-pyridylmethyl)piperazin-1-yl]methanone CAS Name: [4-[(2-nitrophenoxy)methyl]-2-thiophenyl]-[4-(2-pyridinylmethyl)-1-piperazinyl]methanone IUPAC Name: [4-[(2-nitrophenoxy)methyl]thiophen-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone Traditional Name: [4-[(2-nitrophenoxy)methyl]-2-thienyl]-[4-(2-pyridylmethyl)piperazino]methanone Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=N2)C(=O)C3=CC(=CS3)COC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=N2)C(=O)C3=CC(=CS3)COC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4S/c27-22(25-11-9-24(10-12-25)14-18-5-3-4-8-23-18)21-13-17(16-31-21)15-30-20-7-2-1-6-19(20)26(28)29/h1-8,13,16H,9-12,14-15H2