4-(imidazol-1-ylmethyl)-2-[3-(1-methyl-2-oxidanylidene-azocan-3-yl)phenoxy]benzenecarbonitrile

Systemtic Name: 4-(imidazol-1-ylmethyl)-2-[3-(1-methyl-2-oxidanylidene-azocan-3-yl)phenoxy]benzenecarbonitrile Openeye Name: 4-(imidazol-1-ylmethyl)-2-[3-(1-methyl-2-oxo-azocan-3-yl)phenoxy]benzonitrile CAS Name: 4-(1-imidazolylmethyl)-2-[3-(1-methyl-2-oxo-3-azocanyl)phenoxy]benzonitrile IUPAC Name: 4-(imidazol-1-ylmethyl)-2-[3-(1-methyl-2-oxoazocan-3-yl)phenoxy]benzonitrile Traditional Name: 4-(imidazol-1-ylmethyl)-2-[3-(2-keto-1-methyl-azocan-3-yl)phenoxy]benzonitrile Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCCC(C1=O)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N

Isomeric SMILES

CN1CCCCCC(C1=O)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N

InChI

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