2-[4,4-dimethyl-2-oxidanylidene-3-(3-phenylpropanoylamino)azepan-1-yl]propanamide

Systemtic Name: 2-[4,4-dimethyl-2-oxidanylidene-3-(3-phenylpropanoylamino)azepan-1-yl]propanamide Openeye Name: 2-[4,4-dimethyl-2-oxo-3-(3-phenylpropanoylamino)azepan-1-yl]propanamide CAS Name: 2-[4,4-dimethyl-2-oxo-3-[(1-oxo-3-phenylpropyl)amino]-1-azepanyl]propanamide IUPAC Name: 2-[4,4-dimethyl-2-oxo-3-(3-phenylpropanoylamino)azepan-1-yl]propanamide Traditional Name: 2-[3-(hydrocinnamoylamino)-2-keto-4,4-dimethyl-azepan-1-yl]propionamide Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)N1CCCC(C(C1=O)NC(=O)CCC2=CC=CC=C2)(C)C

Isomeric SMILES

CC(C(=O)N)N1CCCC(C(C1=O)NC(=O)CCC2=CC=CC=C2)(C)C

InChI

InChI=1S/C20H29N3O3/c1-14(18(21)25)23-13-7-12-20(2,3)17(19(23)26)22-16(24)11-10-15-8-5-4-6-9-15/h4-6,8-9,14,17H,7,10-13H2,1-3H3,(H2,21,25)(H,22,24)