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

Systemtic Name: ethyl 5-azanyl-1-[4-[(5-bromanyl-2-methoxy-phenyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H21BrN4O4 MolecularWeight: 473.31984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=C(C=CC(=C3)Br)OC)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=C(C=CC(=C3)Br)OC)N

InChI

InChI=1S/C21H21BrN4O4/c1-3-30-21(28)17-12-25-26(19(17)23)16-7-4-13(5-8-16)20(27)24-11-14-10-15(22)6-9-18(14)29-2/h4-10,12H,3,11,23H2,1-2H3,(H,24,27)