methyl 5-azanyl-1-[4-[(4-bromophenyl)carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-[(4-bromophenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[(4-bromophenyl)carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[(4-bromoanilino)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[(4-bromophenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(4-bromophenyl)carbamoyl]phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C18H15BrN4O3 MolecularWeight: 415.2407

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)Br)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)Br)N

InChI

InChI=1S/C18H15BrN4O3/c1-26-18(25)15-10-21-23(16(15)20)14-8-2-11(3-9-14)17(24)22-13-6-4-12(19)5-7-13/h2-10H,20H2,1H3,(H,22,24)