1-(azepan-1-yl)-4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]butane-1,4-dione

Systemtic Name: 1-(azepan-1-yl)-4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]butane-1,4-dione Openeye Name: 1-(azepan-1-yl)-4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]butane-1,4-dione CAS Name: 1-(1-azepanyl)-4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]butane-1,4-dione IUPAC Name: 1-(azepan-1-yl)-4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]butane-1,4-dione Traditional Name: 1-(azepan-1-yl)-4-[(5R)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]butane-1,4-dione Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)CCC(=O)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H31N3O3/c1-32-22-13-11-21(12-14-22)24-19-23(20-9-5-4-6-10-20)27-29(24)26(31)16-15-25(30)28-17-7-2-3-8-18-28/h4-6,9-14,24H,2-3,7-8,15-19H2,1H3/t24-/m1/s1