1-[1-[2-(2-adamantyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-7-phenyl-azepan-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[1-[2-(2-adamantyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-7-phenyl-azepan-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-[2-(2-adamantyl)-2-oxo-ethyl]-2-oxo-7-phenyl-azepan-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-[2-(2-adamantyl)-2-oxoethyl]-2-oxo-7-phenyl-3-azepanyl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-[2-(2-adamantyl)-2-oxoethyl]-2-oxo-7-phenylazepan-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[1-[2-(2-adamantyl)-2-keto-ethyl]-2-keto-7-phenyl-azepan-3-yl]-3-(m-tolyl)urea Formula: C32H39N3O3 MolecularWeight: 513.67036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2CCCC(N(C2=O)CC(=O)C3C4CC5CC(C4)CC3C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2CCCC(N(C2=O)CC(=O)C3C4CC5CC(C4)CC3C5)C6=CC=CC=C6

InChI

InChI=1S/C32H39N3O3/c1-20-7-5-10-26(13-20)33-32(38)34-27-11-6-12-28(23-8-3-2-4-9-23)35(31(27)37)19-29(36)30-24-15-21-14-22(17-24)18-25(30)16-21/h2-5,7-10,13,21-22,24-25,27-28,30H,6,11-12,14-19H2,1H3,(H2,33,34,38)