3-(7-ethyl-1H-indol-3-yl)-1-[4-(phenylmethyl)piperazin-1-yl]-3-thiophen-3-yl-propan-1-one

Systemtic Name: 3-(7-ethyl-1H-indol-3-yl)-1-[4-(phenylmethyl)piperazin-1-yl]-3-thiophen-3-yl-propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-thienyl)propan-1-one CAS Name: 3-(7-ethyl-1H-indol-3-yl)-1-[4-(phenylmethyl)-1-piperazinyl]-3-(3-thiophenyl)-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(7-ethyl-1H-indol-3-yl)-3-thiophen-3-ylpropan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-(7-ethyl-1H-indol-3-yl)-3-(3-thienyl)propan-1-one Formula: C28H31N3OS MolecularWeight: 457.63024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(CC(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CSC=C5

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(CC(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CSC=C5

InChI

InChI=1S/C28H31N3OS/c1-2-22-9-6-10-24-26(18-29-28(22)24)25(23-11-16-33-20-23)17-27(32)31-14-12-30(13-15-31)19-21-7-4-3-5-8-21/h3-11,16,18,20,25,29H,2,12-15,17,19H2,1H3