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

Systemtic Name: 2-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]-4-[[1-(triphenylmethyl)imidazol-4-yl]methyl]benzenecarbonitrile Openeye Name: 2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)phenoxy]-4-[(1-tritylimidazol-4-yl)methyl]benzonitrile CAS Name: 2-[3-(3-ethyl-1-methyl-2-oxo-3-azepanyl)phenoxy]-4-[[1-(triphenylmethyl)-4-imidazolyl]methyl]benzonitrile IUPAC Name: 2-[3-(3-ethyl-1-methyl-2-oxoazepan-3-yl)phenoxy]-4-[(1-tritylimidazol-4-yl)methyl]benzonitrile Traditional Name: 2-[3-(3-ethyl-2-keto-1-methyl-azepan-3-yl)phenoxy]-4-[(1-tritylimidazol-4-yl)methyl]benzonitrile Formula: C45H42N4O2 MolecularWeight: 670.84058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CC4=CN(C=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C#N

Isomeric SMILES

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CC4=CN(C=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C#N

InChI

InChI=1S/C45H42N4O2/c1-3-44(26-13-14-27-48(2)43(44)50)39-22-15-23-41(30-39)51-42-29-34(24-25-35(42)31-46)28-40-32-49(33-47-40)45(36-16-7-4-8-17-36,37-18-9-5-10-19-37)38-20-11-6-12-21-38/h4-12,15-25,29-30,32-33H,3,13-14,26-28H2,1-2H3