N-ethylethanamine; N-(5-oxidanylidene-1,3-diphenyl-4-phenylazanyl-pyrazol-4-yl)propanamide

Systemtic Name: N-ethylethanamine; N-(5-oxidanylidene-1,3-diphenyl-4-phenylazanyl-pyrazol-4-yl)propanamide Openeye Name: N-(4-anilino-5-oxo-1,3-diphenyl-pyrazol-4-yl)propanamide; N-ethylethanamine CAS Name: N-(4-anilino-5-oxo-1,3-diphenyl-4-pyrazolyl)propanamide; N-ethylethanamine IUPAC Name: N-(4-anilino-5-oxo-1,3-diphenylpyrazol-4-yl)propanamide; N-ethylethanamine Traditional Name: N-(4-anilino-5-keto-1,3-diphenyl-2-pyrazolin-4-yl)propionamide; diethylamine Formula: C28H33N5O2 MolecularWeight: 471.59392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1(C(=NN(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)NC4=CC=CC=C4.CCNCC

Isomeric SMILES

CCC(=O)NC1(C(=NN(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)NC4=CC=CC=C4.CCNCC

InChI

InChI=1S/C24H22N4O2.C4H11N/c1-2-21(29)26-24(25-19-14-8-4-9-15-19)22(18-12-6-3-7-13-18)27-28(23(24)30)20-16-10-5-11-17-20;1-3-5-4-2/h3-17,25H,2H2,1H3,(H,26,29);5H,3-4H2,1-2H3