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

Systemtic Name: 4-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-[[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 4-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]-6-phenylmethoxy-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 4-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C30H33N3O3 MolecularWeight: 483.60132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)CN2CC(CN(C(=O)C2)CC3=CN=CC=C3)OCC4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)CN2CC(CN(C(=O)C2)CC3=CN=CC=C3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C30H33N3O3/c1-30(2,35)15-14-24-10-12-25(13-11-24)18-32-20-28(36-23-26-7-4-3-5-8-26)21-33(29(34)22-32)19-27-9-6-16-31-17-27/h3-13,16-17,28,35H,18-23H2,1-2H3