N-(3-ethynylphenyl)-4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanamide

Systemtic Name: N-(3-ethynylphenyl)-4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanamide Openeye Name: N-(3-ethynylphenyl)-4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-butanamide CAS Name: N-(3-ethynylphenyl)-4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanamide IUPAC Name: N-(3-ethynylphenyl)-4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanamide Traditional Name: N-(3-ethynylphenyl)-4-keto-4-[(5R)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]butyramide Formula: C28H25N3O3 MolecularWeight: 451.5164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)NC3=CC=CC(=C3)C#C)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)CCC(=O)NC3=CC=CC(=C3)C#C)C4=CC=CC=C4

InChI

InChI=1S/C28H25N3O3/c1-3-20-8-7-11-23(18-20)29-27(32)16-17-28(33)31-26(22-12-14-24(34-2)15-13-22)19-25(30-31)21-9-5-4-6-10-21/h1,4-15,18,26H,16-17,19H2,2H3,(H,29,32)/t26-/m1/s1