4-[(2,5-dimethylimidazol-1-yl)methyl]-2-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]benzenecarbonitrile

Systemtic Name: 4-[(2,5-dimethylimidazol-1-yl)methyl]-2-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]benzenecarbonitrile Openeye Name: 4-[(2,5-dimethylimidazol-1-yl)methyl]-2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)phenoxy]benzonitrile CAS Name: 4-[(2,5-dimethyl-1-imidazolyl)methyl]-2-[3-(3-ethyl-1-methyl-2-oxo-3-azepanyl)phenoxy]benzonitrile IUPAC Name: 4-[(2,5-dimethylimidazol-1-yl)methyl]-2-[3-(3-ethyl-1-methyl-2-oxoazepan-3-yl)phenoxy]benzonitrile Traditional Name: 4-[(2,5-dimethylimidazol-1-yl)methyl]-2-[3-(3-ethyl-2-keto-1-methyl-azepan-3-yl)phenoxy]benzonitrile Formula: C28H32N4O2 MolecularWeight: 456.57928

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C(=CN=C4C)C)C#N

Isomeric SMILES

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C(=CN=C4C)C)C#N

InChI

InChI=1S/C28H32N4O2/c1-5-28(13-6-7-14-31(4)27(28)33)24-9-8-10-25(16-24)34-26-15-22(11-12-23(26)17-29)19-32-20(2)18-30-21(32)3/h8-12,15-16,18H,5-7,13-14,19H2,1-4H3