N-[4-(azepan-1-yl)phenyl]-2-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-amino]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-amino]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[[2-(tert-butylamino)-2-oxo-ethyl]-methyl-amino]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[[2-(tert-butylamino)-2-keto-ethyl]-methyl-amino]acetamide Formula: C21H34N4O2 MolecularWeight: 374.52026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C)CC(=O)NC1=CC=C(C=C1)N2CCCCCC2

Isomeric SMILES

CC(C)(C)NC(=O)CN(C)CC(=O)NC1=CC=C(C=C1)N2CCCCCC2

InChI

InChI=1S/C21H34N4O2/c1-21(2,3)23-20(27)16-24(4)15-19(26)22-17-9-11-18(12-10-17)25-13-7-5-6-8-14-25/h9-12H,5-8,13-16H2,1-4H3,(H,22,26)(H,23,27)