3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-nitrothiophen-2-yl)propan-1-one

Systemtic Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-nitrothiophen-2-yl)propan-1-one Openeye Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-nitro-2-thienyl)propan-1-one CAS Name: 3-[4-(2-methoxyphenyl)-1-piperazinyl]-1-(5-nitro-2-thiophenyl)-1-propanone IUPAC Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-nitrothiophen-2-yl)propan-1-one Traditional Name: 3-[4-(2-methoxyphenyl)piperazino]-1-(5-nitro-2-thienyl)propan-1-one Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S/c1-25-16-5-3-2-4-14(16)20-12-10-19(11-13-20)9-8-15(22)17-6-7-18(26-17)21(23)24/h2-7H,8-13H2,1H3