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

Systemtic Name: 2-[3-(3-ethyl-2-oxidanylidene-azepan-3-yl)phenoxy]-4-(imidazol-1-ylmethyl)benzenecarbonitrile Openeye Name: 2-[3-(3-ethyl-2-oxo-azepan-3-yl)phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile CAS Name: 2-[3-(3-ethyl-2-oxo-3-azepanyl)phenoxy]-4-(1-imidazolylmethyl)benzonitrile IUPAC Name: 2-[3-(3-ethyl-2-oxoazepan-3-yl)phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile Traditional Name: 2-[3-(3-ethyl-2-keto-azepan-3-yl)phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCNC1=O)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N

Isomeric SMILES

CCC1(CCCCNC1=O)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N

InChI

InChI=1S/C25H26N4O2/c1-2-25(10-3-4-11-28-24(25)30)21-6-5-7-22(15-21)31-23-14-19(8-9-20(23)16-26)17-29-13-12-27-18-29/h5-9,12-15,18H,2-4,10-11,17H2,1H3,(H,28,30)