2-[(3S,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-3,4-dihydropyridazin-6-yl]-3-oxidanyl-inden-1-one

Systemtic Name: 2-[(3S,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-3,4-dihydropyridazin-6-yl]-3-oxidanyl-inden-1-one Openeye Name: 2-[(3S,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-3,4-dihydropyridazin-6-yl]-3-hydroxy-inden-1-one CAS Name: 2-[(3S,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-3,4-dihydropyridazin-6-yl]-3-hydroxy-1-indenone IUPAC Name: 2-[(3S,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-3,4-dihydropyridazin-6-yl]-3-hydroxyinden-1-one Traditional Name: 2-[(3S,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-3,4-dihydropyridazin-6-yl]-3-hydroxy-inden-1-one Formula: C27H22N2O4 MolecularWeight: 438.47458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C=C(N=N2)C3=C(C4=CC=CC=C4C3=O)O)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2[C@@H](C=C(N=N2)C3=C(C4=CC=CC=C4C3=O)O)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H22N2O4/c1-32-22-13-12-17(14-23(22)33-2)25-20(16-8-4-3-5-9-16)15-21(28-29-25)24-26(30)18-10-6-7-11-19(18)27(24)31/h3-15,20,25,30H,1-2H3/t20-,25+/m0/s1