2-[4,4-dimethyl-2-oxidanylidene-3-(3-phenylpropanoylamino)azepan-1-yl]propanoylazanide; yttrium(3+)

Systemtic Name: 2-[4,4-dimethyl-2-oxidanylidene-3-(3-phenylpropanoylamino)azepan-1-yl]propanoylazanide; yttrium(3+) Openeye Name: 2-[4,4-dimethyl-2-oxo-3-(3-phenylpropanoylamino)azepan-1-yl]propanoylazanide; yttrium(3+) CAS Name: [2-[4,4-dimethyl-2-oxo-3-[(1-oxo-3-phenylpropyl)amino]-1-azepanyl]-1-oxopropyl]azanide; yttrium(3+) IUPAC Name: 2-[4,4-dimethyl-2-oxo-3-(3-phenylpropanoylamino)azepan-1-yl]propanoylazanide; yttrium(3+) Traditional Name: 2-[3-(hydrocinnamoylamino)-2-keto-4,4-dimethyl-azepan-1-yl]propanoylazanide; yttrium(3+) Formula: C20H28N3O3Y+2 MolecularWeight: 447.36047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[NH-])N1CCCC(C(C1=O)NC(=O)CCC2=CC=CC=C2)(C)C.[Y+3]

Isomeric SMILES

CC(C(=O)[NH-])N1CCCC(C(C1=O)NC(=O)CCC2=CC=CC=C2)(C)C.[Y+3]

InChI

InChI=1S/C20H29N3O3.Y/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,(H3,21,22,24,25);/q;+3/p-1