[4-(thiophen-3-ylmethyl)piperazin-1-yl]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone

Systemtic Name: [4-(thiophen-3-ylmethyl)piperazin-1-yl]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone Openeye Name: [4-(3-thienylmethyl)piperazin-1-yl]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone CAS Name: [4-(3-thiophenylmethyl)-1-piperazinyl]-(3,4,5-trimethoxy-2-nitrophenyl)methanone IUPAC Name: [4-(thiophen-3-ylmethyl)piperazin-1-yl]-(3,4,5-trimethoxy-2-nitrophenyl)methanone Traditional Name: [4-(3-thenyl)piperazino]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)N2CCN(CC2)CC3=CSC=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)N2CCN(CC2)CC3=CSC=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C19H23N3O6S/c1-26-15-10-14(16(22(24)25)18(28-3)17(15)27-2)19(23)21-7-5-20(6-8-21)11-13-4-9-29-12-13/h4,9-10,12H,5-8,11H2,1-3H3