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

Systemtic Name: 4-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]-1-(oxan-4-ylmethyl)-6-phenylmethoxy-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-[[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl]-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 4-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]-1-(4-oxanylmethyl)-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 4-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]-1-(oxan-4-ylmethyl)-6-phenylmethoxy-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzyl]-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C30H38N2O4 MolecularWeight: 490.63372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)CN2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)CN2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C30H38N2O4/c1-30(2,34)15-12-24-8-10-25(11-9-24)18-31-20-28(36-23-27-6-4-3-5-7-27)21-32(29(33)22-31)19-26-13-16-35-17-14-26/h3-11,26,28,34H,13-14,16-23H2,1-2H3