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

Systemtic Name: 2-(3-benzamido-4,4-dimethyl-2-oxidanylidene-azepan-1-yl)propanoylazanide; yttrium(3+) Openeye Name: 2-(3-benzamido-4,4-dimethyl-2-oxo-azepan-1-yl)propanoylazanide; yttrium(3+) CAS Name: [2-(3-benzamido-4,4-dimethyl-2-oxo-1-azepanyl)-1-oxopropyl]azanide; yttrium(3+) IUPAC Name: 2-(3-benzamido-4,4-dimethyl-2-oxoazepan-1-yl)propanoylazanide; yttrium(3+) Traditional Name: 2-(3-benzamido-2-keto-4,4-dimethyl-azepan-1-yl)propanoylazanide; yttrium(3+) Formula: C18H24N3O3Y+2 MolecularWeight: 419.30731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3.Y/c1-12(15(19)22)21-11-7-10-18(2,3)14(17(21)24)20-16(23)13-8-5-4-6-9-13;/h4-6,8-9,12,14H,7,10-11H2,1-3H3,(H3,19,20,22,23);/q;+3/p-1