1-[4-(1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]cyclohexane-1-carbonitrile

Systemtic Name: 1-[4-(1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-[4-(1,3-benzoxazol-2-yl)-2-chloro-phenyl]cyclohexanecarbonitrile CAS Name: 1-[4-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-[4-(1,3-benzoxazol-2-yl)-2-chlorophenyl]cyclohexane-1-carbonitrile Traditional Name: 1-[4-(1,3-benzoxazol-2-yl)-2-chloro-phenyl]cyclohexanecarbonitrile Formula: C20H17ClN2O MolecularWeight: 336.81478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)C2=C(C=C(C=C2)C3=NC4=CC=CC=C4O3)Cl

Isomeric SMILES

C1CCC(CC1)(C#N)C2=C(C=C(C=C2)C3=NC4=CC=CC=C4O3)Cl

InChI

InChI=1S/C20H17ClN2O/c21-16-12-14(19-23-17-6-2-3-7-18(17)24-19)8-9-15(16)20(13-22)10-4-1-5-11-20/h2-3,6-9,12H,1,4-5,10-11H2