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

Systemtic Name: 1-[1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-7-phenyl-azepan-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-[2-(1-adamantyl)-2-oxo-ethyl]-2-oxo-7-phenyl-azepan-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-[2-(1-adamantyl)-2-oxoethyl]-2-oxo-7-phenyl-3-azepanyl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-[2-(1-adamantyl)-2-oxoethyl]-2-oxo-7-phenylazepan-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[1-[2-(1-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)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2CCCC(N(C2=O)CC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

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