N-ethylethanamine; N-(3-methyl-5-oxidanylidene-1-phenyl-4-phenylazanyl-pyrazol-4-yl)benzamide

Systemtic Name: N-ethylethanamine; N-(3-methyl-5-oxidanylidene-1-phenyl-4-phenylazanyl-pyrazol-4-yl)benzamide Openeye Name: N-(4-anilino-3-methyl-5-oxo-1-phenyl-pyrazol-4-yl)benzamide; N-ethylethanamine CAS Name: N-(4-anilino-3-methyl-5-oxo-1-phenyl-4-pyrazolyl)benzamide; N-ethylethanamine IUPAC Name: N-(4-anilino-3-methyl-5-oxo-1-phenylpyrazol-4-yl)benzamide; N-ethylethanamine Traditional Name: N-(4-anilino-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)benzamide; diethylamine Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CC1=NN(C(=O)C1(NC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCNCC.CC1=NN(C(=O)C1(NC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H20N4O2.C4H11N/c1-17-23(24-19-13-7-3-8-14-19,25-21(28)18-11-5-2-6-12-18)22(29)27(26-17)20-15-9-4-10-16-20;1-3-5-4-2/h2-16,24H,1H3,(H,25,28);5H,3-4H2,1-2H3