tert-butyl N-[[4-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]carbamoyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]carbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[[6-(3-oxopiperazin-1-yl)-3-pyridyl]carbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[oxo-[[6-(3-oxo-1-piperazinyl)-3-pyridinyl]amino]methyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[[6-(3-oxopiperazin-1-yl)pyridin-3-yl]carbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[[6-(3-ketopiperazino)-3-pyridyl]carbamoyl]benzyl]carbamic acid tert-butyl ester Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C22H27N5O4/c1-22(2,3)31-21(30)25-12-15-4-6-16(7-5-15)20(29)26-17-8-9-18(24-13-17)27-11-10-23-19(28)14-27/h4-9,13H,10-12,14H2,1-3H3,(H,23,28)(H,25,30)(H,26,29)