phenyl 5-[(4-hexadecoxyphenyl)carbonylamino]-3-oxidanylidene-2-phenyl-pyrazole-1-carboxylate

Systemtic Name: phenyl 5-[(4-hexadecoxyphenyl)carbonylamino]-3-oxidanylidene-2-phenyl-pyrazole-1-carboxylate Openeye Name: phenyl 5-[(4-hexadecoxybenzoyl)amino]-3-oxo-2-phenyl-pyrazole-1-carboxylate CAS Name: 5-[[(4-hexadecoxyphenyl)-oxomethyl]amino]-3-oxo-2-phenyl-1-pyrazolecarboxylic acid phenyl ester IUPAC Name: phenyl 5-[(4-hexadecoxybenzoyl)amino]-3-oxo-2-phenylpyrazole-1-carboxylate Traditional Name: 5-[(4-cetyloxybenzoyl)amino]-3-keto-2-phenyl-3-pyrazoline-1-carboxylic acid phenyl ester Formula: C39H49N3O5 MolecularWeight: 639.82346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC(=O)N(N2C(=O)OC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC(=O)N(N2C(=O)OC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C39H49N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-30-46-34-28-26-32(27-29-34)38(44)40-36-31-37(43)41(33-22-17-15-18-23-33)42(36)39(45)47-35-24-19-16-20-25-35/h15-20,22-29,31H,2-14,21,30H2,1H3,(H,40,44)