ethyl 3-azanyl-1-(4-bromophenyl)carbonyl-5-(4-methoxyphenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 3-azanyl-1-(4-bromophenyl)carbonyl-5-(4-methoxyphenyl)pyrazole-4-carboxylate Openeye Name: ethyl 3-amino-1-(4-bromobenzoyl)-5-(4-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 3-amino-1-[(4-bromophenyl)-oxomethyl]-5-(4-methoxyphenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-1-(4-bromobenzoyl)-5-(4-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 3-amino-1-(4-bromobenzoyl)-5-(4-methoxyphenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1N)C(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1N)C(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H18BrN3O4/c1-3-28-20(26)16-17(12-6-10-15(27-2)11-7-12)24(23-18(16)22)19(25)13-4-8-14(21)9-5-13/h4-11H,3H2,1-2H3,(H2,22,23)