methyl 3-[2-[3-[(3-aminocarbonyl-2-phenyl-3,4-dihydropyrazol-5-yl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(3-aminocarbonyl-2-phenyl-3,4-dihydropyrazol-5-yl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[(3-carbamoyl-2-phenyl-3,4-dihydropyrazol-5-yl)-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(5-carbamoyl-1-phenyl-2-pyrazoline-3-carbonyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C27H22N4O4 MolecularWeight: 466.48798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=NN(C(C3)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=NN(C(C3)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C27H22N4O4/c1-35-27(34)20-9-5-7-18(15-20)13-14-19-8-6-10-21(16-19)29-26(33)23-17-24(25(28)32)31(30-23)22-11-3-2-4-12-22/h2-12,15-16,24H,17H2,1H3,(H2,28,32)(H,29,33)