tert-butyl N-[[4-(3-oxidanylidenepiperazin-1-yl)carbonylphenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-(3-oxidanylidenepiperazin-1-yl)carbonylphenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]carbamate CAS Name: N-[[4-[oxo-(3-oxo-1-piperazinyl)methyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]carbamate Traditional Name: N-[4-(3-ketopiperazine-1-carbonyl)benzyl]carbamic acid tert-butyl ester Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2

InChI

InChI=1S/C17H23N3O4/c1-17(2,3)24-16(23)19-10-12-4-6-13(7-5-12)15(22)20-9-8-18-14(21)11-20/h4-7H,8-11H2,1-3H3,(H,18,21)(H,19,23)