1-[[5-[(4-methoxynaphthalen-1-yl)oxymethyl]-1,2-oxazol-3-yl]carbonyl]-1,4-diazepan-5-one

Systemtic Name: 1-[[5-[(4-methoxynaphthalen-1-yl)oxymethyl]-1,2-oxazol-3-yl]carbonyl]-1,4-diazepan-5-one Openeye Name: 1-[5-[(4-methoxy-1-naphthyl)oxymethyl]isoxazole-3-carbonyl]-1,4-diazepan-5-one CAS Name: 1-[[5-[(4-methoxy-1-naphthalenyl)oxymethyl]-3-isoxazolyl]-oxomethyl]-1,4-diazepan-5-one IUPAC Name: 1-[5-[(4-methoxynaphthalen-1-yl)oxymethyl]-1,2-oxazole-3-carbonyl]-1,4-diazepan-5-one Traditional Name: 1-[5-[(4-methoxy-1-naphthoxy)methyl]isoxazole-3-carbonyl]-1,4-diazepan-5-one Formula: C21H21N3O5 MolecularWeight: 395.40854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)OCC3=CC(=NO3)C(=O)N4CCC(=O)NCC4

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)OCC3=CC(=NO3)C(=O)N4CCC(=O)NCC4

InChI

InChI=1S/C21H21N3O5/c1-27-18-6-7-19(16-5-3-2-4-15(16)18)28-13-14-12-17(23-29-14)21(26)24-10-8-20(25)22-9-11-24/h2-7,12H,8-11,13H2,1H3,(H,22,25)