tert-butyl 3-[[3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxidanylidene-pyrazol-4-yl]carbonyl-methyl-amino]-2-methoxy-propanoate

Systemtic Name: tert-butyl 3-[[3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxidanylidene-pyrazol-4-yl]carbonyl-methyl-amino]-2-methoxy-propanoate Openeye Name: tert-butyl 3-[[3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxo-pyrazole-4-carbonyl]-methyl-amino]-2-methoxy-propanoate CAS Name: 3-[[[3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxo-4-pyrazolyl]-oxomethyl]-methylamino]-2-methoxypropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxopyrazole-4-carbonyl]-methylamino]-2-methoxypropanoate Traditional Name: 3-[[3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-5-keto-2-methyl-3-pyrazoline-4-carbonyl]-methyl-amino]-2-methoxy-propionic acid tert-butyl ester Formula: C31H38N4O5 MolecularWeight: 546.65722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)N(N2C)C3=CC=C(C=C3)C#N)C(=O)N(C)CC(C(=O)OC(C)(C)C)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)N(N2C)C3=CC=C(C=C3)C#N)C(=O)N(C)CC(C(=O)OC(C)(C)C)OC

InChI

InChI=1S/C31H38N4O5/c1-30(2,3)22-14-12-21(13-15-22)26-25(27(36)33(7)19-24(39-9)29(38)40-31(4,5)6)28(37)35(34(26)8)23-16-10-20(18-32)11-17-23/h10-17,24H,19H2,1-9H3