N-(4-acetamido-5-oxidanylidene-1-phenyl-4-phenylazanyl-pyrazol-3-yl)-4-propoxy-benzamide

Systemtic Name: N-(4-acetamido-5-oxidanylidene-1-phenyl-4-phenylazanyl-pyrazol-3-yl)-4-propoxy-benzamide Openeye Name: N-(4-acetamido-4-anilino-5-oxo-1-phenyl-pyrazol-3-yl)-4-propoxy-benzamide CAS Name: N-(4-acetamido-4-anilino-5-oxo-1-phenyl-3-pyrazolyl)-4-propoxybenzamide IUPAC Name: N-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-4-propoxybenzamide Traditional Name: N-(4-acetamido-4-anilino-5-keto-1-phenyl-2-pyrazolin-3-yl)-4-propoxy-benzamide Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC2=NN(C(=O)C2(NC3=CC=CC=C3)NC(=O)C)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=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/C27H27N5O4/c1-3-18-36-23-16-14-20(15-17-23)24(34)28-25-27(29-19(2)33,30-21-10-6-4-7-11-21)26(35)32(31-25)22-12-8-5-9-13-22/h4-17,30H,3,18H2,1-2H3,(H,29,33)(H,28,31,34)