tert-butyl 3-[5-azanyl-1-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]pyrazol-4-yl]carbonylbenzoate

Systemtic Name: tert-butyl 3-[5-azanyl-1-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]pyrazol-4-yl]carbonylbenzoate Openeye Name: tert-butyl 3-[5-amino-1-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]pyrazole-4-carbonyl]benzoate CAS Name: 3-[[5-amino-1-[5-[(cyclopropylamino)-oxomethyl]-2-methylphenyl]-4-pyrazolyl]-oxomethyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carbonyl]benzoate Traditional Name: 3-[5-amino-1-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]pyrazole-4-carbonyl]benzoic acid tert-butyl ester Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C=N3)C(=O)C4=CC(=CC=C4)C(=O)OC(C)(C)C)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C=N3)C(=O)C4=CC(=CC=C4)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C26H28N4O4/c1-15-8-9-17(24(32)29-19-10-11-19)13-21(15)30-23(27)20(14-28-30)22(31)16-6-5-7-18(12-16)25(33)34-26(2,3)4/h5-9,12-14,19H,10-11,27H2,1-4H3,(H,29,32)