4-(imidazol-1-ylmethyl)-2-[4-(3-oxidanylidenebutyl)phenoxy]benzenecarbonitrile

Systemtic Name: 4-(imidazol-1-ylmethyl)-2-[4-(3-oxidanylidenebutyl)phenoxy]benzenecarbonitrile Openeye Name: 4-(imidazol-1-ylmethyl)-2-[4-(3-oxobutyl)phenoxy]benzonitrile CAS Name: 4-(1-imidazolylmethyl)-2-[4-(3-oxobutyl)phenoxy]benzonitrile IUPAC Name: 4-(imidazol-1-ylmethyl)-2-[4-(3-oxobutyl)phenoxy]benzonitrile Traditional Name: 4-(imidazol-1-ylmethyl)-2-[4-(3-ketobutyl)phenoxy]benzonitrile Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OC2=C(C=CC(=C2)CN3C=CN=C3)C#N

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OC2=C(C=CC(=C2)CN3C=CN=C3)C#N

InChI

InChI=1S/C21H19N3O2/c1-16(25)2-3-17-5-8-20(9-6-17)26-21-12-18(4-7-19(21)13-22)14-24-11-10-23-15-24/h4-12,15H,2-3,14H2,1H3