1-[1-[2-(2-adamantyl)-2-oxidanylidene-ethyl]-7-cyclohexyl-2-oxidanylidene-5-phenyl-azepan-3-yl]-3-(3-methoxyphenyl)urea

Systemtic Name: 1-[1-[2-(2-adamantyl)-2-oxidanylidene-ethyl]-7-cyclohexyl-2-oxidanylidene-5-phenyl-azepan-3-yl]-3-(3-methoxyphenyl)urea Openeye Name: 1-[1-[2-(2-adamantyl)-2-oxo-ethyl]-7-cyclohexyl-2-oxo-5-phenyl-azepan-3-yl]-3-(3-methoxyphenyl)urea CAS Name: 1-[1-[2-(2-adamantyl)-2-oxoethyl]-7-cyclohexyl-2-oxo-5-phenyl-3-azepanyl]-3-(3-methoxyphenyl)urea IUPAC Name: 1-[1-[2-(2-adamantyl)-2-oxoethyl]-7-cyclohexyl-2-oxo-5-phenylazepan-3-yl]-3-(3-methoxyphenyl)urea Traditional Name: 1-[1-[2-(2-adamantyl)-2-keto-ethyl]-7-cyclohexyl-2-keto-5-phenyl-azepan-3-yl]-3-(3-methoxyphenyl)urea Formula: C38H49N3O4 MolecularWeight: 611.81336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)NC2CC(CC(N(C2=O)CC(=O)C3C4CC5CC(C4)CC3C5)C6CCCCC6)C7=CC=CC=C7

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)NC2CC(CC(N(C2=O)CC(=O)C3C4CC5CC(C4)CC3C5)C6CCCCC6)C7=CC=CC=C7

InChI

InChI=1S/C38H49N3O4/c1-45-32-14-8-13-31(22-32)39-38(44)40-33-20-28(26-9-4-2-5-10-26)21-34(27-11-6-3-7-12-27)41(37(33)43)23-35(42)36-29-16-24-15-25(18-29)19-30(36)17-24/h2,4-5,8-10,13-14,22,24-25,27-30,33-34,36H,3,6-7,11-12,15-21,23H2,1H3,(H2,39,40,44)