methyl 5-azanyl-1-[4-[(5-bromanyl-2-methoxy-phenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-[(5-bromanyl-2-methoxy-phenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[(5-bromo-2-methoxy-phenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[(5-bromo-2-methoxyphenyl)methylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[(5-bromo-2-methoxyphenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(5-bromo-2-methoxy-benzyl)carbamoyl]phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C20H19BrN4O4 MolecularWeight: 459.29326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OC)N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OC)N

InChI

InChI=1S/C20H19BrN4O4/c1-28-17-8-5-14(21)9-13(17)10-23-19(26)12-3-6-15(7-4-12)25-18(22)16(11-24-25)20(27)29-2/h3-9,11H,10,22H2,1-2H3,(H,23,26)