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

Systemtic Name: tert-butyl N-[2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-phenyl-carbamate Openeye Name: tert-butyl N-[2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-oxo-ethyl]-N-phenyl-carbamate CAS Name: N-[2-[4-[2-(1-imidazolyl)ethyl]-1-piperazinyl]-2-oxoethyl]-N-phenylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-oxoethyl]-N-phenylcarbamate Traditional Name: N-[2-[4-(2-imidazol-1-ylethyl)piperazino]-2-keto-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)N1CCN(CC1)CCN2C=CN=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N(CC(=O)N1CCN(CC1)CCN2C=CN=C2)C3=CC=CC=C3

InChI

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