ethyl 3,5-dimethyl-1-[4-[(2-phenylazanylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-1-[4-[(2-phenylazanylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[(2-anilinophenyl)carbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[4-[(2-anilinoanilino)-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(2-anilinophenyl)carbamoyl]phenyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-[4-[(2-anilinophenyl)carbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylic acid ethyl ester Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3NC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3NC4=CC=CC=C4)C

InChI

InChI=1S/C27H26N4O3/c1-4-34-27(33)25-18(2)30-31(19(25)3)22-16-14-20(15-17-22)26(32)29-24-13-9-8-12-23(24)28-21-10-6-5-7-11-21/h5-17,28H,4H2,1-3H3,(H,29,32)