3-[2-[4-[2-oxidanylidene-3-(4-phenoxyphenyl)imidazol-1-yl]phenoxy]ethylamino]azepan-2-one

Systemtic Name: 3-[2-[4-[2-oxidanylidene-3-(4-phenoxyphenyl)imidazol-1-yl]phenoxy]ethylamino]azepan-2-one Openeye Name: 3-[2-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]phenoxy]ethylamino]azepan-2-one CAS Name: 3-[2-[4-[2-oxo-3-(4-phenoxyphenyl)-1-imidazolyl]phenoxy]ethylamino]-2-azepanone IUPAC Name: 3-[2-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]phenoxy]ethylamino]azepan-2-one Traditional Name: 3-[2-[4-[2-keto-3-(4-phenoxyphenyl)-4-imidazolin-1-yl]phenoxy]ethylamino]azepan-2-one Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCCOC2=CC=C(C=C2)N3C=CN(C3=O)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CCNC(=O)C(C1)NCCOC2=CC=C(C=C2)N3C=CN(C3=O)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C29H30N4O4/c34-28-27(8-4-5-17-31-28)30-18-21-36-24-13-9-22(10-14-24)32-19-20-33(29(32)35)23-11-15-26(16-12-23)37-25-6-2-1-3-7-25/h1-3,6-7,9-16,19-20,27,30H,4-5,8,17-18,21H2,(H,31,34)