1-cyclohexyl-4-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonyl-6-phenylmethoxy-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-4-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonyl-6-phenylmethoxy-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-1-cyclohexyl-4-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-oxomethyl]-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]-6-phenylmethoxy-1,4-diazepan-2-one Traditional Name: 6-benzoxy-1-cyclohexyl-4-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]-1,4-diazepan-2-one Formula: C30H36N2O4 MolecularWeight: 488.61784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C30H36N2O4/c1-30(2,35)18-17-23-13-15-25(16-14-23)29(34)31-19-27(36-22-24-9-5-3-6-10-24)20-32(28(33)21-31)26-11-7-4-8-12-26/h3,5-6,9-10,13-16,26-27,35H,4,7-8,11-12,19-22H2,1-2H3