[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(5-nitrothiophen-3-yl)methanone

Systemtic Name: [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(5-nitrothiophen-3-yl)methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(5-nitro-3-thienyl)methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1-piperazinyl]-(5-nitro-3-thiophenyl)methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(5-nitrothiophen-3-yl)methanone Traditional Name: (5-nitro-3-thienyl)-(4-p-anisylpiperazino)methanone Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CSC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CSC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O4S/c1-24-15-4-2-13(3-5-15)11-18-6-8-19(9-7-18)17(21)14-10-16(20(22)23)25-12-14/h2-5,10,12H,6-9,11H2,1H3