1-[4-(4-nitrophenyl)piperazin-1-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-4-(2-thienyl)butan-1-one CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-4-(2-thienyl)butan-1-one Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCC3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCC3=CC=CS3

InChI

InChI=1S/C18H21N3O3S/c22-18(5-1-3-17-4-2-14-25-17)20-12-10-19(11-13-20)15-6-8-16(9-7-15)21(23)24/h2,4,6-9,14H,1,3,5,10-13H2