ethyl 4-[2-chloranyl-6-[(2-methylphenyl)carbonylamino]phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-chloranyl-6-[(2-methylphenyl)carbonylamino]phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-chloro-6-[(2-methylbenzoyl)amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[2-chloro-6-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-chloro-6-[(2-methylbenzoyl)amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-chloro-6-(o-toluoylamino)phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C21H24ClN3O3/c1-3-28-21(27)25-13-11-24(12-14-25)19-17(22)9-6-10-18(19)23-20(26)16-8-5-4-7-15(16)2/h4-10H,3,11-14H2,1-2H3,(H,23,26)