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

Systemtic Name: 1-[1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-7-cyclohexyl-2-oxidanylidene-5-phenyl-azepan-3-yl]-3-(3-methoxyphenyl)urea Openeye Name: 1-[1-[2-(1-adamantyl)-2-oxo-ethyl]-7-cyclohexyl-2-oxo-5-phenyl-azepan-3-yl]-3-(3-methoxyphenyl)urea CAS Name: 1-[1-[2-(1-adamantyl)-2-oxoethyl]-7-cyclohexyl-2-oxo-5-phenyl-3-azepanyl]-3-(3-methoxyphenyl)urea IUPAC Name: 1-[1-[2-(1-adamantyl)-2-oxoethyl]-7-cyclohexyl-2-oxo-5-phenylazepan-3-yl]-3-(3-methoxyphenyl)urea Traditional Name: 1-[1-[2-(1-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)C34CC5CC(C3)CC(C5)C4)C6CCCCC6)C7=CC=CC=C7

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)NC2CC(CC(N(C2=O)CC(=O)C34CC5CC(C3)CC(C5)C4)C6CCCCC6)C7=CC=CC=C7

InChI

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