3-(4-methoxyphenyl)-1-[4-(2-thiophen-2-ylcyclopropyl)carbonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-methoxyphenyl)-1-[4-(2-thiophen-2-ylcyclopropyl)carbonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(4-methoxyphenyl)-1-[4-[2-(2-thienyl)cyclopropanecarbonyl]piperazin-1-yl]propan-1-one CAS Name: 3-(4-methoxyphenyl)-1-[4-[oxo-(2-thiophen-2-ylcyclopropyl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-methoxyphenyl)-1-[4-(2-thiophen-2-ylcyclopropanecarbonyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(4-methoxyphenyl)-1-[4-[2-(2-thienyl)cyclopropanecarbonyl]piperazino]propan-1-one Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C(=O)C3CC3C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C(=O)C3CC3C4=CC=CS4

InChI

InChI=1S/C22H26N2O3S/c1-27-17-7-4-16(5-8-17)6-9-21(25)23-10-12-24(13-11-23)22(26)19-15-18(19)20-3-2-14-28-20/h2-5,7-8,14,18-19H,6,9-13,15H2,1H3