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

Systemtic Name: propyl 4-[(3-aminocarbonyl-2-phenyl-3,4-dihydropyrazol-5-yl)carbonylamino]benzoate Openeye Name: propyl 4-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]benzoate CAS Name: 4-[[(3-carbamoyl-2-phenyl-3,4-dihydropyrazol-5-yl)-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]benzoate Traditional Name: 4-[(5-carbamoyl-1-phenyl-2-pyrazoline-3-carbonyl)amino]benzoic acid propyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C(C2)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C(C2)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O4/c1-2-12-29-21(28)14-8-10-15(11-9-14)23-20(27)17-13-18(19(22)26)25(24-17)16-6-4-3-5-7-16/h3-11,18H,2,12-13H2,1H3,(H2,22,26)(H,23,27)