3-naphthalen-1-yl-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]prop-2-yn-1-one

Systemtic Name: 3-naphthalen-1-yl-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]prop-2-yn-1-one Openeye Name: 3-(1-naphthyl)-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]prop-2-yn-1-one CAS Name: 3-(1-naphthalenyl)-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-propyn-1-one IUPAC Name: 3-naphthalen-1-yl-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]prop-2-yn-1-one Traditional Name: 3-(1-naphthyl)-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]prop-2-yn-1-one Formula: C27H24N4O2 MolecularWeight: 436.50506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C#CC2=CC=CC3=CC=CC=C32)CC4=NOC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C#CC2=CC=CC3=CC=CC=C32)CC4=NOC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O2/c32-26(15-14-22-12-6-11-21-8-4-5-13-24(21)22)31-17-7-16-30(18-19-31)20-25-28-27(33-29-25)23-9-2-1-3-10-23/h1-6,8-13H,7,16-20H2