[2-[3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-[7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-keto-ethyl] ester Formula: C27H22Cl2N4O3 MolecularWeight: 521.39458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C(=O)COC(=O)C4=NC=CN=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C(=O)COC(=O)C4=NC=CN=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H22Cl2N4O3/c28-20-8-4-17(5-9-20)14-19-2-1-3-22-25(19)32-33(26(22)18-6-10-21(29)11-7-18)24(34)16-36-27(35)23-15-30-12-13-31-23/h4-15,22,26H,1-3,16H2