2-ethyl-1-[(3S)-5-(3-methoxyphenyl)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-3,4-dihydropyrazol-2-yl]butan-1-one

Systemtic Name: 2-ethyl-1-[(3S)-5-(3-methoxyphenyl)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-3,4-dihydropyrazol-2-yl]butan-1-one Openeye Name: 2-ethyl-1-[(3S)-5-(3-methoxyphenyl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-3,4-dihydropyrazol-2-yl]butan-1-one CAS Name: 2-ethyl-1-[(3S)-5-(3-methoxyphenyl)-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-3,4-dihydropyrazol-2-yl]-1-butanone IUPAC Name: 2-ethyl-1-[(3S)-5-(3-methoxyphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]butan-1-one Traditional Name: 2-ethyl-1-[(5S)-3-(3-methoxyphenyl)-5-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-2-pyrazolin-1-yl]butan-1-one Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1C(CC(=N1)C2=CC(=CC=C2)OC)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CCC(CC)C(=O)N1[C@@H](CC(=N1)C2=CC(=CC=C2)OC)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O2S/c1-4-20(5-2)29(34)33-26(18-25(30-33)21-11-9-14-23(17-21)35-3)24-19-32(22-12-7-6-8-13-22)31-28(24)27-15-10-16-36-27/h6-17,19-20,26H,4-5,18H2,1-3H3/t26-/m0/s1