4-[6-(3-cyanopropyl)-3-methoxy-5-phenyl-cyclohepta-1,3,6-trien-1-yl]butanenitrile

Systemtic Name: 4-[6-(3-cyanopropyl)-3-methoxy-5-phenyl-cyclohepta-1,3,6-trien-1-yl]butanenitrile Openeye Name: 4-[6-(3-cyanopropyl)-3-methoxy-5-phenyl-cyclohepta-1,3,6-trien-1-yl]butanenitrile CAS Name: 4-[6-(3-cyanopropyl)-3-methoxy-5-phenyl-1-cyclohepta-1,3,6-trienyl]butanenitrile IUPAC Name: 4-[6-(3-cyanopropyl)-3-methoxy-5-phenylcyclohepta-1,3,6-trien-1-yl]butanenitrile Traditional Name: 4-[6-(3-cyanopropyl)-3-methoxy-5-phenyl-cyclohepta-1,3,6-trien-1-yl]butyronitrile Formula: C22H24N2O MolecularWeight: 332.43876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(C(=CC(=C1)CCCC#N)CCCC#N)C2=CC=CC=C2

Isomeric SMILES

COC1=CC(C(=CC(=C1)CCCC#N)CCCC#N)C2=CC=CC=C2

InChI

InChI=1S/C22H24N2O/c1-25-21-16-18(9-5-7-13-23)15-20(12-6-8-14-24)22(17-21)19-10-3-2-4-11-19/h2-4,10-11,15-17,22H,5-9,12H2,1H3