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

Systemtic Name: N-(3-butoxypropyl)-4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanamide Openeye Name: N-(3-butoxypropyl)-4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-butanamide CAS Name: N-(3-butoxypropyl)-4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanamide IUPAC Name: N-(3-butoxypropyl)-4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanamide Traditional Name: N-(3-butoxypropyl)-4-keto-4-[(5S)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]butyramide Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O4/c1-3-4-18-34-19-8-17-28-26(31)15-16-27(32)30-25(22-11-13-23(33-2)14-12-22)20-24(29-30)21-9-6-5-7-10-21/h5-7,9-14,25H,3-4,8,15-20H2,1-2H3,(H,28,31)/t25-/m0/s1