tert-butyl N-[4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-4-oxidanylidene-butyl]carbamate

Systemtic Name: tert-butyl N-[4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-4-oxidanylidene-butyl]carbamate Openeye Name: tert-butyl N-[4-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-4-oxo-butyl]carbamate CAS Name: N-[4-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-4-oxobutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutyl]carbamate Traditional Name: N-[4-[4-(5-chloro-2-methyl-phenyl)piperazino]-4-keto-butyl]carbamic acid tert-butyl ester Formula: C20H30ClN3O3 MolecularWeight: 395.9235

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C20H30ClN3O3/c1-15-7-8-16(21)14-17(15)23-10-12-24(13-11-23)18(25)6-5-9-22-19(26)27-20(2,3)4/h7-8,14H,5-6,9-13H2,1-4H3,(H,22,26)