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

Systemtic Name: 2-(3-benzamido-4-methyl-2-oxidanylidene-azepan-1-yl)propanoylazanide; yttrium(3+) Openeye Name: 2-(3-benzamido-4-methyl-2-oxo-azepan-1-yl)propanoylazanide; yttrium(3+) CAS Name: [2-(3-benzamido-4-methyl-2-oxo-1-azepanyl)-1-oxopropyl]azanide; yttrium(3+) IUPAC Name: 2-(3-benzamido-4-methyl-2-oxoazepan-1-yl)propanoylazanide; yttrium(3+) Traditional Name: 2-(3-benzamido-2-keto-4-methyl-azepan-1-yl)propanoylazanide; yttrium(3+) Formula: C17H22N3O3Y+2 MolecularWeight: 405.28073

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C(=O)C1NC(=O)C2=CC=CC=C2)C(C)C(=O)[NH-].[Y+3]

Isomeric SMILES

CC1CCCN(C(=O)C1NC(=O)C2=CC=CC=C2)C(C)C(=O)[NH-].[Y+3]

InChI

InChI=1S/C17H23N3O3.Y/c1-11-7-6-10-20(12(2)15(18)21)17(23)14(11)19-16(22)13-8-4-3-5-9-13;/h3-5,8-9,11-12,14H,6-7,10H2,1-2H3,(H3,18,19,21,22);/q;+3/p-1