2-[4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)carbonylpiperazin-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)carbonylpiperazin-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinyl]-oxomethyl]-1-piperazinyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carbonyl)piperazino]-1-piperidino-ethanone Formula: C25H31N5O2S MolecularWeight: 465.61094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCN(CC3)CC(=O)N4CCCCC4)N5C=CC=C5)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCN(CC3)CC(=O)N4CCCCC4)N5C=CC=C5)C

InChI

InChI=1S/C25H31N5O2S/c1-18-16-19(2)26-24-21(18)22(29-10-6-7-11-29)23(33-24)25(32)30-14-12-27(13-15-30)17-20(31)28-8-4-3-5-9-28/h6-7,10-11,16H,3-5,8-9,12-15,17H2,1-2H3