1-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one

Systemtic Name: 1-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one Openeye Name: 1-[[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl]-4-(o-tolylmethyl)-1,4-diazepan-5-one CAS Name: 1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one IUPAC Name: 1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one Traditional Name: 1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzyl]-4-(2-methylbenzyl)-1,4-diazepan-5-one Formula: C25H30N2O2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CCC2=O)CC3=CC=C(C=C3)C#CC(C)(C)O

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CCC2=O)CC3=CC=C(C=C3)C#CC(C)(C)O

InChI

InChI=1S/C25H30N2O2/c1-20-6-4-5-7-23(20)19-27-17-16-26(15-13-24(27)28)18-22-10-8-21(9-11-22)12-14-25(2,3)29/h4-11,29H,13,15-19H2,1-3H3