methyl 4-[[methyl-[3-(1-phenylpyrazol-4-yl)propanoyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[methyl-[3-(1-phenylpyrazol-4-yl)propanoyl]amino]methyl]benzoate Openeye Name: methyl 4-[[methyl-[3-(1-phenylpyrazol-4-yl)propanoyl]amino]methyl]benzoate CAS Name: 4-[[methyl-[1-oxo-3-(1-phenyl-4-pyrazolyl)propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[methyl-[3-(1-phenylpyrazol-4-yl)propanoyl]amino]methyl]benzoate Traditional Name: 4-[[methyl-[3-(1-phenylpyrazol-4-yl)propanoyl]amino]methyl]benzoic acid methyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)CCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3/c1-24(15-17-8-11-19(12-9-17)22(27)28-2)21(26)13-10-18-14-23-25(16-18)20-6-4-3-5-7-20/h3-9,11-12,14,16H,10,13,15H2,1-2H3