N-[4-acetamido-4-[(4-ethylphenyl)amino]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]benzamide; 2-methoxyethanamine

Systemtic Name: N-[4-acetamido-4-[(4-ethylphenyl)amino]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]benzamide; 2-methoxyethanamine Openeye Name: N-[4-acetamido-4-(4-ethylanilino)-5-oxo-1-phenyl-pyrazol-3-yl]benzamide; 2-methoxyethanamine CAS Name: N-[4-acetamido-4-(4-ethylanilino)-5-oxo-1-phenyl-3-pyrazolyl]benzamide; 2-methoxyethanamine IUPAC Name: N-[4-acetamido-4-(4-ethylanilino)-5-oxo-1-phenylpyrazol-3-yl]benzamide; 2-methoxyethanamine Traditional Name: N-[4-acetamido-4-(4-ethylanilino)-5-keto-1-phenyl-2-pyrazolin-3-yl]benzamide; 2-methoxyethylamine Formula: C29H34N6O4 MolecularWeight: 530.61806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2(C(=NN(C2=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)NC(=O)C.COCCN

Isomeric SMILES

CCC1=CC=C(C=C1)NC2(C(=NN(C2=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)NC(=O)C.COCCN

InChI

InChI=1S/C26H25N5O3.C3H9NO/c1-3-19-14-16-21(17-15-19)29-26(28-18(2)32)24(27-23(33)20-10-6-4-7-11-20)30-31(25(26)34)22-12-8-5-9-13-22;1-5-3-2-4/h4-17,29H,3H2,1-2H3,(H,28,32)(H,27,30,33);2-4H2,1H3