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

Systemtic Name: 4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-N-pentyl-butanamide Openeye Name: 4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-N-pentyl-butanamide CAS Name: 4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-N-pentylbutanamide IUPAC Name: 4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-N-pentylbutanamide Traditional Name: N-amyl-4-keto-4-[(5S)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]butyramide Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CCC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCNC(=O)CCC(=O)N1[C@@H](CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H31N3O3/c1-3-4-8-17-26-24(29)15-16-25(30)28-23(20-11-13-21(31-2)14-12-20)18-22(27-28)19-9-6-5-7-10-19/h5-7,9-14,23H,3-4,8,15-18H2,1-2H3,(H,26,29)/t23-/m0/s1