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

Systemtic Name: N-ethylethanamine; N-[5-oxidanylidene-1-phenyl-4-phenylazanyl-3-(phenylmethyl)pyrazol-4-yl]benzamide Openeye Name: N-(4-anilino-3-benzyl-5-oxo-1-phenyl-pyrazol-4-yl)benzamide; N-ethylethanamine CAS Name: N-[4-anilino-5-oxo-1-phenyl-3-(phenylmethyl)-4-pyrazolyl]benzamide; N-ethylethanamine IUPAC Name: N-(4-anilino-3-benzyl-5-oxo-1-phenylpyrazol-4-yl)benzamide; N-ethylethanamine Traditional Name: N-(4-anilino-3-benzyl-5-keto-1-phenyl-2-pyrazolin-4-yl)benzamide; diethylamine Formula: C33H35N5O2 MolecularWeight: 533.6633

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.C1=CC=C(C=C1)CC2=NN(C(=O)C2(NC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCNCC.C1=CC=C(C=C1)CC2=NN(C(=O)C2(NC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H24N4O2.C4H11N/c34-27(23-15-7-2-8-16-23)31-29(30-24-17-9-3-10-18-24)26(21-22-13-5-1-6-14-22)32-33(28(29)35)25-19-11-4-12-20-25;1-3-5-4-2/h1-20,30H,21H2,(H,31,34);5H,3-4H2,1-2H3