pentyl 2-[1-[3,5-bis(chloranyl)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: pentyl 2-[1-[3,5-bis(chloranyl)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[1-(3,5-dichlorobenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3,5-dichlorophenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3,5-dichlorobenzoyl)-3-keto-piperazin-2-yl]acetic acid amyl ester Formula: C18H22Cl2N2O4 MolecularWeight: 401.28428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C18H22Cl2N2O4/c1-2-3-4-7-26-16(23)11-15-17(24)21-5-6-22(15)18(25)12-8-13(19)10-14(20)9-12/h8-10,15H,2-7,11H2,1H3,(H,21,24)