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

Systemtic Name: ethyl 5-azanyl-1-[4-(3-methylbutylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-(isopentylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[(3-methylbutylamino)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-(3-methylbutylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(isoamylcarbamoyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCC(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCC(C)C)N

InChI

InChI=1S/C18H24N4O3/c1-4-25-18(24)15-11-21-22(16(15)19)14-7-5-13(6-8-14)17(23)20-10-9-12(2)3/h5-8,11-12H,4,9-10,19H2,1-3H3,(H,20,23)