6-[(3-methoxyphenyl)methoxy]-4-[3-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonyl-1-phenethyl-1,4-diazepan-2-one

Systemtic Name: 6-[(3-methoxyphenyl)methoxy]-4-[3-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonyl-1-phenethyl-1,4-diazepan-2-one Openeye Name: 4-[3-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one CAS Name: 4-[[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-oxomethyl]-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one IUPAC Name: 4-[3-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one Traditional Name: 4-[3-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]-6-m-anisyloxy-1-phenethyl-1,4-diazepan-2-one Formula: C33H36N2O5 MolecularWeight: 540.64934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC(=CC=C1)C(=O)N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)OC)O

Isomeric SMILES

CC(C)(C#CC1=CC(=CC=C1)C(=O)N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)OC)O

InChI

InChI=1S/C33H36N2O5/c1-33(2,38)17-15-26-11-7-13-28(19-26)32(37)35-22-30(40-24-27-12-8-14-29(20-27)39-3)21-34(31(36)23-35)18-16-25-9-5-4-6-10-25/h4-14,19-20,30,38H,16,18,21-24H2,1-3H3