tert-butyl N-[3-(3-oxidanylidenepiperazin-1-yl)carbonylphenyl]carbamate

Systemtic Name: tert-butyl N-[3-(3-oxidanylidenepiperazin-1-yl)carbonylphenyl]carbamate Openeye Name: tert-butyl N-[3-(3-oxopiperazine-1-carbonyl)phenyl]carbamate CAS Name: N-[3-[oxo-(3-oxo-1-piperazinyl)methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(3-oxopiperazine-1-carbonyl)phenyl]carbamate Traditional Name: N-[3-(3-ketopiperazine-1-carbonyl)phenyl]carbamic acid tert-butyl ester Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2

InChI

InChI=1S/C16H21N3O4/c1-16(2,3)23-15(22)18-12-6-4-5-11(9-12)14(21)19-8-7-17-13(20)10-19/h4-6,9H,7-8,10H2,1-3H3,(H,17,20)(H,18,22)