ethyl 4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C2=CC=CC=C2)C(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(C2=CC=CC=C2)C(=O)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C23H29N3O3/c1-4-29-23(28)26-12-10-25(11-13-26)21(19-8-6-5-7-9-19)22(27)24-20-15-17(2)14-18(3)16-20/h5-9,14-16,21H,4,10-13H2,1-3H3,(H,24,27)