ethyl 1-[4-(cyclobutylcarbamoyl)phenyl]-5-naphthalen-2-yl-pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[4-(cyclobutylcarbamoyl)phenyl]-5-naphthalen-2-yl-pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-(cyclobutylcarbamoyl)phenyl]-5-(2-naphthyl)pyrazole-3-carboxylate CAS Name: 1-[4-[(cyclobutylamino)-oxomethyl]phenyl]-5-(2-naphthalenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(cyclobutylcarbamoyl)phenyl]-5-naphthalen-2-ylpyrazole-3-carboxylate Traditional Name: 1-[4-(cyclobutylcarbamoyl)phenyl]-5-(2-naphthyl)pyrazole-3-carboxylic acid ethyl ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)C(=O)NC5CCC5

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)C(=O)NC5CCC5

InChI

InChI=1S/C27H25N3O3/c1-2-33-27(32)24-17-25(21-11-10-18-6-3-4-7-20(18)16-21)30(29-24)23-14-12-19(13-15-23)26(31)28-22-8-5-9-22/h3-4,6-7,10-17,22H,2,5,8-9H2,1H3,(H,28,31)