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

Systemtic Name: 4-(imidazol-1-ylmethyl)-2-[3-(1-methyl-2-oxidanylidene-piperidin-3-yl)phenoxy]benzenecarbonitrile Openeye Name: 4-(imidazol-1-ylmethyl)-2-[3-(1-methyl-2-oxo-3-piperidyl)phenoxy]benzonitrile CAS Name: 4-(1-imidazolylmethyl)-2-[3-(1-methyl-2-oxo-3-piperidinyl)phenoxy]benzonitrile IUPAC Name: 4-(imidazol-1-ylmethyl)-2-[3-(1-methyl-2-oxopiperidin-3-yl)phenoxy]benzonitrile Traditional Name: 4-(imidazol-1-ylmethyl)-2-[3-(2-keto-1-methyl-3-piperidyl)phenoxy]benzonitrile Formula: C23H22N4O2 MolecularWeight: 386.44638

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1=O)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N

Isomeric SMILES

CN1CCCC(C1=O)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CN4C=CN=C4)C#N

InChI

InChI=1S/C23H22N4O2/c1-26-10-3-6-21(23(26)28)18-4-2-5-20(13-18)29-22-12-17(7-8-19(22)14-24)15-27-11-9-25-16-27/h2,4-5,7-9,11-13,16,21H,3,6,10,15H2,1H3