(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C24H25N5O3/c1-16(2)27-24(31)26-14-18-9-11-19(12-10-18)23(30)32-15-22-21(13-25)17(3)28-29(22)20-7-5-4-6-8-20/h4-12,16H,14-15H2,1-3H3,(H2,26,27,31)