N-tert-butyl-2-[4-[2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-[4-[2-(N-allylanilino)-2-oxo-ethyl]-1,4-diazepan-1-yl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[4-[2-oxo-2-(N-prop-2-enylanilino)ethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-oxo-2-(N-prop-2-enylanilino)ethyl]-1,4-diazepan-1-yl]acetamide Traditional Name: 2-[4-[2-(N-allylanilino)-2-keto-ethyl]-1,4-diazepan-1-yl]-N-tert-butyl-acetamide Formula: C22H34N4O2 MolecularWeight: 386.53096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCCN(CC1)CC(=O)N(CC=C)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCCN(CC1)CC(=O)N(CC=C)C2=CC=CC=C2

InChI

InChI=1S/C22H34N4O2/c1-5-12-26(19-10-7-6-8-11-19)21(28)18-25-14-9-13-24(15-16-25)17-20(27)23-22(2,3)4/h5-8,10-11H,1,9,12-18H2,2-4H3,(H,23,27)