tert-butyl 1-[4-azanyl-3-[(4-bromanyl-2-methyl-phenyl)carbamoyl]phenyl]piperazine-2-carboxylate

Systemtic Name: tert-butyl 1-[4-azanyl-3-[(4-bromanyl-2-methyl-phenyl)carbamoyl]phenyl]piperazine-2-carboxylate Openeye Name: tert-butyl 1-[4-amino-3-[(4-bromo-2-methyl-phenyl)carbamoyl]phenyl]piperazine-2-carboxylate CAS Name: 1-[4-amino-3-[(4-bromo-2-methylanilino)-oxomethyl]phenyl]-2-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[4-amino-3-[(4-bromo-2-methylphenyl)carbamoyl]phenyl]piperazine-2-carboxylate Traditional Name: 1-[4-amino-3-[(4-bromo-2-methyl-phenyl)carbamoyl]phenyl]piperazine-2-carboxylic acid tert-butyl ester Formula: C23H29BrN4O3 MolecularWeight: 489.40536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2=C(C=CC(=C2)N3CCNCC3C(=O)OC(C)(C)C)N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2=C(C=CC(=C2)N3CCNCC3C(=O)OC(C)(C)C)N

InChI

InChI=1S/C23H29BrN4O3/c1-14-11-15(24)5-8-19(14)27-21(29)17-12-16(6-7-18(17)25)28-10-9-26-13-20(28)22(30)31-23(2,3)4/h5-8,11-12,20,26H,9-10,13,25H2,1-4H3,(H,27,29)