2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]-N-(2-cyanophenyl)propanamide

Systemtic Name: 2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]-N-(2-cyanophenyl)propanamide Openeye Name: 2-[4-[2-(tert-butylamino)-2-oxo-ethyl]-1,4-diazepan-1-yl]-N-(2-cyanophenyl)propanamide CAS Name: 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2-cyanophenyl)propanamide IUPAC Name: 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2-cyanophenyl)propanamide Traditional Name: 2-[4-[2-(tert-butylamino)-2-keto-ethyl]-1,4-diazepan-1-yl]-N-(2-cyanophenyl)propionamide Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)N2CCCN(CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)N2CCCN(CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C21H31N5O2/c1-16(20(28)23-18-9-6-5-8-17(18)14-22)26-11-7-10-25(12-13-26)15-19(27)24-21(2,3)4/h5-6,8-9,16H,7,10-13,15H2,1-4H3,(H,23,28)(H,24,27)