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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=NN(C(C2)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=NN(C(C2)C(=O)N)C3=CC=CC=C3

InChI

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