tert-butyl 4-methyl-2-[[4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)phenyl]carbonylamino]pentanoate

Systemtic Name: tert-butyl 4-methyl-2-[[4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)phenyl]carbonylamino]pentanoate Openeye Name: tert-butyl 4-methyl-2-[[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoyl]amino]pentanoate CAS Name: 4-methyl-2-[[[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-oxomethyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-methyl-2-[[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoyl]amino]pentanoate Traditional Name: 2-[[4-(5-keto-3-methyl-2-pyrazolin-1-yl)benzoyl]amino]-4-methyl-valeric acid tert-butyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=CC=C(C=C2)C(=O)NC(CC(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NN(C(=O)C1)C2=CC=C(C=C2)C(=O)NC(CC(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H29N3O4/c1-13(2)11-17(20(27)28-21(4,5)6)22-19(26)15-7-9-16(10-8-15)24-18(25)12-14(3)23-24/h7-10,13,17H,11-12H2,1-6H3,(H,22,26)