1-[3-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[3-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[3-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[3-(3-methoxyphenyl)-4-[(4-phenyl-1-piperazinyl)methyl]-1-pyrrolidinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[3-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[3-(3-methoxyphenyl)-4-[(4-phenylpiperazino)methyl]pyrrolidino]-2-(2-thienyl)ethanone Formula: C28H33N3O2S MolecularWeight: 475.64552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CN(CC2CN3CCN(CC3)C4=CC=CC=C4)C(=O)CC5=CC=CS5

Isomeric SMILES

COC1=CC=CC(=C1)C2CN(CC2CN3CCN(CC3)C4=CC=CC=C4)C(=O)CC5=CC=CS5

InChI

InChI=1S/C28H33N3O2S/c1-33-25-10-5-7-22(17-25)27-21-31(28(32)18-26-11-6-16-34-26)20-23(27)19-29-12-14-30(15-13-29)24-8-3-2-4-9-24/h2-11,16-17,23,27H,12-15,18-21H2,1H3