ethyl 2-[2,6-bis(chloranyl)phenyl]-5-butyl-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 2-[2,6-bis(chloranyl)phenyl]-5-butyl-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-butyl-2-(2,6-dichlorophenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylate CAS Name: 5-butyl-2-(2,6-dichlorophenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-butyl-2-(2,6-dichlorophenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylate Traditional Name: 5-butyl-2-(2,6-dichlorophenyl)-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]pyrazole-3-carboxylic acid ethyl ester Formula: C30H28Cl2N6O2 MolecularWeight: 575.48832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC)C5=C(C=CC=C5Cl)Cl

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC)C5=C(C=CC=C5Cl)Cl

InChI

InChI=1S/C30H28Cl2N6O2/c1-3-5-13-26-23(27(30(39)40-4-2)38(35-26)28-24(31)11-8-12-25(28)32)18-19-14-16-20(17-15-19)21-9-6-7-10-22(21)29-33-36-37-34-29/h6-12,14-17H,3-5,13,18H2,1-2H3,(H,33,34,36,37)