ethyl (6bS,9aS)-7-(4-methylphenyl)-6b,9a-dihydroacenaphthyleno[2,1-c]pyrazole-9-carboxylate

Systemtic Name: ethyl (6bS,9aS)-7-(4-methylphenyl)-6b,9a-dihydroacenaphthyleno[2,1-c]pyrazole-9-carboxylate Openeye Name: ethyl (6bS,9aS)-7-(p-tolyl)-6b,9a-dihydroacenaphthyleno[2,1-c]pyrazole-9-carboxylate CAS Name: (6bS,9aS)-7-(4-methylphenyl)-6b,9a-dihydroacenaphthyleno[2,1-c]pyrazole-9-carboxylic acid ethyl ester IUPAC Name: ethyl (6bS,9aS)-7-(4-methylphenyl)-6b,9a-dihydroacenaphthyleno[2,1-c]pyrazole-9-carboxylate Traditional Name: (6bS,9aS)-7-(p-tolyl)-6b,9a-dihydroacenaphtho[2,1-c]pyrazole-9-carboxylic acid ethyl ester Formula: C23H20N2O2 MolecularWeight: 356.4171

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2C1C3=CC=CC4=C3C2=CC=C4)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C1=NN([C@H]2[C@@H]1C3=CC=CC4=C3C2=CC=C4)C5=CC=C(C=C5)C

InChI

InChI=1S/C23H20N2O2/c1-3-27-23(26)21-20-17-8-4-6-15-7-5-9-18(19(15)17)22(20)25(24-21)16-12-10-14(2)11-13-16/h4-13,20,22H,3H2,1-2H3/t20-,22-/m1/s1