methyl 5-azanyl-1-[4-(2-phenylpropylcarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-(2-phenylpropylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-(2-phenylpropylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-(2-phenylpropylamino)methyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-(2-phenylpropylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(2-phenylpropylcarbamoyl)phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OC)N)C3=CC=CC=C3

Isomeric SMILES

CC(CNC(=O)C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OC)N)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3/c1-14(15-6-4-3-5-7-15)12-23-20(26)16-8-10-17(11-9-16)25-19(22)18(13-24-25)21(27)28-2/h3-11,13-14H,12,22H2,1-2H3,(H,23,26)