1-[4-(5-chloranyl-2-methoxy-phenyl)carbonylpiperazin-1-yl]-3,3-dimethyl-butan-1-one

Systemtic Name: 1-[4-(5-chloranyl-2-methoxy-phenyl)carbonylpiperazin-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-(5-chloro-2-methoxy-benzoyl)piperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-[(5-chloro-2-methoxyphenyl)-oxomethyl]-1-piperazinyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-(5-chloro-2-methoxy-benzoyl)piperazino]-3,3-dimethyl-butan-1-one Formula: C18H25ClN2O3 MolecularWeight: 352.8557

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C18H25ClN2O3/c1-18(2,3)12-16(22)20-7-9-21(10-8-20)17(23)14-11-13(19)5-6-15(14)24-4/h5-6,11H,7-10,12H2,1-4H3