tert-butyl N-[4-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-1-yl]ethyl]phenyl]carbamate CAS Name: N-[4-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazinyl]ethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]phenyl]carbamate Traditional Name: N-[4-[2-keto-2-[4-(4-pyridylmethyl)piperazino]ethyl]phenyl]carbamic acid tert-butyl ester Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)CC(=O)N2CCN(CC2)CC3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)CC(=O)N2CCN(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C23H30N4O3/c1-23(2,3)30-22(29)25-20-6-4-18(5-7-20)16-21(28)27-14-12-26(13-15-27)17-19-8-10-24-11-9-19/h4-11H,12-17H2,1-3H3,(H,25,29)