ethyl 4-chloranyl-1-[4-(3,3-diphenylpropylcarbamoyl)phenyl]-5-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-chloranyl-1-[4-(3,3-diphenylpropylcarbamoyl)phenyl]-5-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 4-chloro-1-[4-(3,3-diphenylpropylcarbamoyl)phenyl]-5-methyl-pyrazole-3-carboxylate CAS Name: 4-chloro-1-[4-[(3,3-diphenylpropylamino)-oxomethyl]phenyl]-5-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-chloro-1-[4-(3,3-diphenylpropylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxylate Traditional Name: 4-chloro-1-[4-(3,3-diphenylpropylcarbamoyl)phenyl]-5-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C29H28ClN3O3 MolecularWeight: 502.00392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1Cl)C)C2=CC=C(C=C2)C(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1Cl)C)C2=CC=C(C=C2)C(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H28ClN3O3/c1-3-36-29(35)27-26(30)20(2)33(32-27)24-16-14-23(15-17-24)28(34)31-19-18-25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,25H,3,18-19H2,1-2H3,(H,31,34)