ethyl 4-[4-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoate Openeye Name: ethyl 4-[4-[2-(4-chloroanilino)-2-oxo-ethyl]piperazin-1-yl]benzoate CAS Name: 4-[4-[2-(4-chloroanilino)-2-oxoethyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-1-yl]benzoate Traditional Name: 4-[4-[2-(4-chloroanilino)-2-keto-ethyl]piperazino]benzoic acid ethyl ester Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O3/c1-2-28-21(27)16-3-9-19(10-4-16)25-13-11-24(12-14-25)15-20(26)23-18-7-5-17(22)6-8-18/h3-10H,2,11-15H2,1H3,(H,23,26)