4-[[4-(imidazol-1-ylmethyl)-5,5-dimethyl-4-oxidanyl-oxolan-2-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(imidazol-1-ylmethyl)-5,5-dimethyl-4-oxidanyl-oxolan-2-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-hydroxy-4-(imidazol-1-ylmethyl)-5,5-dimethyl-tetrahydrofuran-2-yl]methyl]benzonitrile CAS Name: 4-[[4-hydroxy-4-(1-imidazolylmethyl)-5,5-dimethyl-2-oxolanyl]methyl]benzonitrile IUPAC Name: 4-[[4-hydroxy-4-(imidazol-1-ylmethyl)-5,5-dimethyloxolan-2-yl]methyl]benzonitrile Traditional Name: 4-[[4-hydroxy-4-(imidazol-1-ylmethyl)-5,5-dimethyl-tetrahydrofuran-2-yl]methyl]benzonitrile Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC(O1)CC2=CC=C(C=C2)C#N)(CN3C=CN=C3)O)C

Isomeric SMILES

CC1(C(CC(O1)CC2=CC=C(C=C2)C#N)(CN3C=CN=C3)O)C

InChI

InChI=1S/C18H21N3O2/c1-17(2)18(22,12-21-8-7-20-13-21)10-16(23-17)9-14-3-5-15(11-19)6-4-14/h3-8,13,16,22H,9-10,12H2,1-2H3