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

Systemtic Name: tert-butyl N-[2-oxidanylidene-2-[4-(2-pyrazol-1-ylethyl)piperazin-2-yl]ethyl]-N-phenyl-carbamate Openeye Name: tert-butyl N-[2-oxo-2-[4-(2-pyrazol-1-ylethyl)piperazin-2-yl]ethyl]-N-phenyl-carbamate CAS Name: N-[2-oxo-2-[4-[2-(1-pyrazolyl)ethyl]-2-piperazinyl]ethyl]-N-phenylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-oxo-2-[4-(2-pyrazol-1-ylethyl)piperazin-2-yl]ethyl]-N-phenylcarbamate Traditional Name: N-[2-keto-2-[4-(2-pyrazol-1-ylethyl)piperazin-2-yl]ethyl]-N-phenyl-carbamic acid tert-butyl ester Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC(=O)C1CN(CCN1)CCN2C=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N(CC(=O)C1CN(CCN1)CCN2C=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C22H31N5O3/c1-22(2,3)30-21(29)27(18-8-5-4-6-9-18)17-20(28)19-16-25(13-11-23-19)14-15-26-12-7-10-24-26/h4-10,12,19,23H,11,13-17H2,1-3H3