[2-[(3R,7Z)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3,4,5,6-tetrahydro-1H-indazol-2-yl]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[(3R,7Z)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3,4,5,6-tetrahydro-1H-indazol-2-yl]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[(3R,7Z)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylene]-3,4,5,6-tetrahydro-1H-indazol-2-yl]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[(3R,7Z)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3,4,5,6-tetrahydro-1H-indazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3R,7Z)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3,4,5,6-tetrahydro-1H-indazol-2-yl]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-keto-2-[(3R,7Z)-3-(4-methoxyphenyl)-7-p-anisylidene-3,4,5,6-tetrahydro-1H-indazol-2-yl]ethyl] ester Formula: C29H28N4O5 MolecularWeight: 512.55642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C2CCCC3=C2NN(C3C4=CC=C(C=C4)OC)C(=O)COC(=O)C5=NC=CN=C5

Isomeric SMILES

COC1=CC=C(C=C1)/C=C\2/CCCC3=C2NN([C@@H]3C4=CC=C(C=C4)OC)C(=O)COC(=O)C5=NC=CN=C5

InChI

InChI=1S/C29H28N4O5/c1-36-22-10-6-19(7-11-22)16-21-4-3-5-24-27(21)32-33(28(24)20-8-12-23(37-2)13-9-20)26(34)18-38-29(35)25-17-30-14-15-31-25/h6-17,28,32H,3-5,18H2,1-2H3/b21-16-/t28-/m1/s1