methyl 5-azanyl-1-[4-(3-methylbutylcarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-(3-methylbutylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-(isopentylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[(3-methylbutylamino)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-(3-methylbutylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(isoamylcarbamoyl)phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OC)N

Isomeric SMILES

CC(C)CCNC(=O)C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OC)N

InChI

InChI=1S/C17H22N4O3/c1-11(2)8-9-19-16(22)12-4-6-13(7-5-12)21-15(18)14(10-20-21)17(23)24-3/h4-7,10-11H,8-9,18H2,1-3H3,(H,19,22)