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

Systemtic Name: 4-(imidazol-1-ylmethyl)-2-(1-methyl-2-oxidanylidene-azocan-3-yl)benzenecarbonitrile Openeye Name: 4-(imidazol-1-ylmethyl)-2-(1-methyl-2-oxo-azocan-3-yl)benzonitrile CAS Name: 4-(1-imidazolylmethyl)-2-(1-methyl-2-oxo-3-azocanyl)benzonitrile IUPAC Name: 4-(imidazol-1-ylmethyl)-2-(1-methyl-2-oxoazocan-3-yl)benzonitrile Traditional Name: 4-(imidazol-1-ylmethyl)-2-(2-keto-1-methyl-azocan-3-yl)benzonitrile Formula: C19H22N4O MolecularWeight: 322.40418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCCC(C1=O)C2=C(C=CC(=C2)CN3C=CN=C3)C#N

Isomeric SMILES

CN1CCCCCC(C1=O)C2=C(C=CC(=C2)CN3C=CN=C3)C#N

InChI

InChI=1S/C19H22N4O/c1-22-9-4-2-3-5-17(19(22)24)18-11-15(6-7-16(18)12-20)13-23-10-8-21-14-23/h6-8,10-11,14,17H,2-5,9,13H2,1H3