4-phenylmethoxy-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]butan-1-one

Systemtic Name: 4-phenylmethoxy-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]butan-1-one Openeye Name: 4-benzyloxy-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]butan-1-one CAS Name: 4-phenylmethoxy-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 4-phenylmethoxy-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]butan-1-one Traditional Name: 4-benzoxy-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]butan-1-one Formula: C25H30N4O3 MolecularWeight: 434.5307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCCOCC2=CC=CC=C2)CC3=NOC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCCOCC2=CC=CC=C2)CC3=NOC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O3/c30-24(13-7-18-31-20-21-9-3-1-4-10-21)29-15-8-14-28(16-17-29)19-23-26-25(32-27-23)22-11-5-2-6-12-22/h1-6,9-12H,7-8,13-20H2