(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-benzamidobutanoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-benzamidobutanoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-benzamidobutanoate CAS Name: 4-benzamidobutanoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 4-benzamidobutanoate Traditional Name: 4-benzamidobutyric acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)CCCNC(=O)C2=CC=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1COC(=O)CCCNC(=O)C2=CC=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H22ClN3O3/c1-16-19(21(23)26(25-16)18-11-6-3-7-12-18)15-29-20(27)13-8-14-24-22(28)17-9-4-2-5-10-17/h2-7,9-12H,8,13-15H2,1H3,(H,24,28)