1-(3-methylphenyl)-3-[2-oxidanylidene-1-(2-oxidanylidenepropyl)azepan-3-yl]urea

Systemtic Name: 1-(3-methylphenyl)-3-[2-oxidanylidene-1-(2-oxidanylidenepropyl)azepan-3-yl]urea Openeye Name: 1-(1-acetonyl-2-oxo-azepan-3-yl)-3-(m-tolyl)urea CAS Name: 1-(3-methylphenyl)-3-[2-oxo-1-(2-oxopropyl)-3-azepanyl]urea IUPAC Name: 1-(3-methylphenyl)-3-[2-oxo-1-(2-oxopropyl)azepan-3-yl]urea Traditional Name: 1-(1-acetonyl-2-keto-azepan-3-yl)-3-(m-tolyl)urea Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2CCCCN(C2=O)CC(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2CCCCN(C2=O)CC(=O)C

InChI

InChI=1S/C17H23N3O3/c1-12-6-5-7-14(10-12)18-17(23)19-15-8-3-4-9-20(16(15)22)11-13(2)21/h5-7,10,15H,3-4,8-9,11H2,1-2H3,(H2,18,19,23)