tert-butyl 4-[4-azanyl-3-[(5-azanyl-2-methyl-phenyl)carbamoyl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-azanyl-3-[(5-azanyl-2-methyl-phenyl)carbamoyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-amino-3-[(5-amino-2-methyl-phenyl)carbamoyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-amino-3-[(5-amino-2-methylanilino)-oxomethyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-amino-3-[(5-amino-2-methylphenyl)carbamoyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-amino-3-[(5-amino-2-methyl-phenyl)carbamoyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H31N5O3 MolecularWeight: 425.52394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)NC(=O)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)OC(C)(C)C)N

Isomeric SMILES

CC1=C(C=C(C=C1)N)NC(=O)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C23H31N5O3/c1-15-5-6-16(24)13-20(15)26-21(29)18-14-17(7-8-19(18)25)27-9-11-28(12-10-27)22(30)31-23(2,3)4/h5-8,13-14H,9-12,24-25H2,1-4H3,(H,26,29)