tetradecyl 4-[3-[(3-acetamidophenyl)carbonylamino]-4-(2-chloranylpiperidin-1-yl)-5-oxidanylidene-1H-pyrazol-2-yl]benzoate

Systemtic Name: tetradecyl 4-[3-[(3-acetamidophenyl)carbonylamino]-4-(2-chloranylpiperidin-1-yl)-5-oxidanylidene-1H-pyrazol-2-yl]benzoate Openeye Name: tetradecyl 4-[3-[(3-acetamidobenzoyl)amino]-4-(2-chloro-1-piperidyl)-5-oxo-1H-pyrazol-2-yl]benzoate CAS Name: 4-[3-[[(3-acetamidophenyl)-oxomethyl]amino]-4-(2-chloro-1-piperidinyl)-5-oxo-1H-pyrazol-2-yl]benzoic acid tetradecyl ester IUPAC Name: tetradecyl 4-[3-[(3-acetamidobenzoyl)amino]-4-(2-chloropiperidin-1-yl)-5-oxo-1H-pyrazol-2-yl]benzoate Traditional Name: 4-[5-[(3-acetamidobenzoyl)amino]-4-(2-chloropiperidino)-3-keto-3-pyrazolin-1-yl]benzoic acid myristyl ester Formula: C38H52ClN5O5 MolecularWeight: 694.30298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=C(C(=O)N2)N3CCCCC3Cl)NC(=O)C4=CC(=CC=C4)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=C(C(=O)N2)N3CCCCC3Cl)NC(=O)C4=CC(=CC=C4)NC(=O)C

InChI

InChI=1S/C38H52ClN5O5/c1-3-4-5-6-7-8-9-10-11-12-13-16-26-49-38(48)29-21-23-32(24-22-29)44-35(34(37(47)42-44)43-25-15-14-20-33(43)39)41-36(46)30-18-17-19-31(27-30)40-28(2)45/h17-19,21-24,27,33H,3-16,20,25-26H2,1-2H3,(H,40,45)(H,41,46)(H,42,47)