tert-butyl 4-[(3-aminocarbonyl-2-phenyl-3,4-dihydropyrazol-5-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3-aminocarbonyl-2-phenyl-3,4-dihydropyrazol-5-yl)carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazol-5-yl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(5-carbamoyl-1-phenyl-2-pyrazoline-3-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=NN(C(C2)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=NN(C(C2)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C20H27N5O4/c1-20(2,3)29-19(28)24-11-9-23(10-12-24)18(27)15-13-16(17(21)26)25(22-15)14-7-5-4-6-8-14/h4-8,16H,9-13H2,1-3H3,(H2,21,26)