1-[1-ethyl-3-(4-phenylpiperazin-1-yl)carbonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[1-ethyl-3-(4-phenylpiperazin-1-yl)carbonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[1-ethyl-3-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-(2-thienyl)butan-1-one CAS Name: 1-[1-ethyl-3-[oxo-(4-phenyl-1-piperazinyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[1-ethyl-3-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[1-ethyl-3-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-(2-thienyl)butan-1-one Formula: C27H33N5O2S MolecularWeight: 491.64822

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CN(CC2)C(=O)CCCC3=CC=CS3)C(=N1)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCN1C2=C(CN(CC2)C(=O)CCCC3=CC=CS3)C(=N1)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H33N5O2S/c1-2-32-24-13-14-31(25(33)12-6-10-22-11-7-19-35-22)20-23(24)26(28-32)27(34)30-17-15-29(16-18-30)21-8-4-3-5-9-21/h3-5,7-9,11,19H,2,6,10,12-18,20H2,1H3