ethyl 4-[[butyl-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]carbamoyl]amino]benzoate

Systemtic Name: ethyl 4-[[butyl-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[butyl-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]carbamoyl]amino]benzoate CAS Name: 4-[[[butyl-[2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[butyl-[2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]carbamoyl]amino]benzoate Traditional Name: 4-[[butyl-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl]carbamoyl]amino]benzoic acid ethyl ester Formula: C29H37N5O4 MolecularWeight: 519.63518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2)C(C)(C)C)C(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2)C(C)(C)C)C(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C29H37N5O4/c1-6-8-18-33(28(37)30-22-16-14-21(15-17-22)27(36)38-7-2)20-26(35)31-25-19-24(29(3,4)5)32-34(25)23-12-10-9-11-13-23/h9-17,19H,6-8,18,20H2,1-5H3,(H,30,37)(H,31,35)