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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCN(C1=O)C2=CC(=CC=C2)OC3=CC=C(C=C3)C#N)CN4C=CN=C4

Isomeric SMILES

CC1C(CCN(C1=O)C2=CC(=CC=C2)OC3=CC=C(C=C3)C#N)CN4C=CN=C4

InChI

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