4-[3-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonyl-1-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-[3-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonyl-1-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-benzyl-4-[3-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-oxomethyl]-1-(phenylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-benzyl-4-[3-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-benzyl-4-[3-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C30H31N3O4 MolecularWeight: 497.58484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC(=CC=C1)C(=O)N2CC(CN(C(=O)C2)CC3=CC=CC=C3)OCC4=CN=CC=C4)O

Isomeric SMILES

CC(C)(C#CC1=CC(=CC=C1)C(=O)N2CC(CN(C(=O)C2)CC3=CC=CC=C3)OCC4=CN=CC=C4)O

InChI

InChI=1S/C30H31N3O4/c1-30(2,36)14-13-23-10-6-12-26(16-23)29(35)33-20-27(37-22-25-11-7-15-31-17-25)19-32(28(34)21-33)18-24-8-4-3-5-9-24/h3-12,15-17,27,36H,18-22H2,1-2H3