2-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]-4-[1-(3-methylimidazol-4-yl)-1-oxidanyl-ethyl]benzenecarbonitrile

Systemtic Name: 2-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]-4-[1-(3-methylimidazol-4-yl)-1-oxidanyl-ethyl]benzenecarbonitrile Openeye Name: 2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)phenoxy]-4-[1-hydroxy-1-(3-methylimidazol-4-yl)ethyl]benzonitrile CAS Name: 2-[3-(3-ethyl-1-methyl-2-oxo-3-azepanyl)phenoxy]-4-[1-hydroxy-1-(3-methyl-4-imidazolyl)ethyl]benzonitrile IUPAC Name: 2-[3-(3-ethyl-1-methyl-2-oxoazepan-3-yl)phenoxy]-4-[1-hydroxy-1-(3-methylimidazol-4-yl)ethyl]benzonitrile Traditional Name: 2-[3-(3-ethyl-2-keto-1-methyl-azepan-3-yl)phenoxy]-4-[1-hydroxy-1-(3-methylimidazol-4-yl)ethyl]benzonitrile Formula: C28H32N4O3 MolecularWeight: 472.57868

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)C(C)(C4=CN=CN4C)O)C#N

Isomeric SMILES

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)C(C)(C4=CN=CN4C)O)C#N

InChI

InChI=1S/C28H32N4O3/c1-5-28(13-6-7-14-31(3)26(28)33)22-9-8-10-23(15-22)35-24-16-21(12-11-20(24)17-29)27(2,34)25-18-30-19-32(25)4/h8-12,15-16,18-19,34H,5-7,13-14H2,1-4H3