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

Systemtic Name: N-(4-acetamido-5-oxidanylidene-1-phenyl-4-phenylazanyl-pyrazol-3-yl)-4-methyl-benzamide; N-ethylethanamine Openeye Name: N-(4-acetamido-4-anilino-5-oxo-1-phenyl-pyrazol-3-yl)-4-methyl-benzamide; N-ethylethanamine CAS Name: N-(4-acetamido-4-anilino-5-oxo-1-phenyl-3-pyrazolyl)-4-methylbenzamide; N-ethylethanamine IUPAC Name: N-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-4-methylbenzamide; N-ethylethanamine Traditional Name: N-(4-acetamido-4-anilino-5-keto-1-phenyl-2-pyrazolin-3-yl)-4-methyl-benzamide; diethylamine Formula: C29H34N6O3 MolecularWeight: 514.61866

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CC1=CC=C(C=C1)C(=O)NC2=NN(C(=O)C2(NC3=CC=CC=C3)NC(=O)C)C4=CC=CC=C4

Isomeric SMILES

CCNCC.CC1=CC=C(C=C1)C(=O)NC2=NN(C(=O)C2(NC3=CC=CC=C3)NC(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C25H23N5O3.C4H11N/c1-17-13-15-19(16-14-17)22(32)26-23-25(27-18(2)31,28-20-9-5-3-6-10-20)24(33)30(29-23)21-11-7-4-8-12-21;1-3-5-4-2/h3-16,28H,1-2H3,(H,27,31)(H,26,29,32);5H,3-4H2,1-2H3