tert-butyl N-[3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-keto-propyl]carbamic acid tert-butyl ester Formula: C19H28ClN3O3 MolecularWeight: 381.89692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28ClN3O3/c1-14-5-6-15(20)13-16(14)22-9-11-23(12-10-22)17(24)7-8-21-18(25)26-19(2,3)4/h5-6,13H,7-12H2,1-4H3,(H,21,25)