(E)-2-(3-methoxyphenyl)carbonyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(3-methoxyphenyl)carbonyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile Openeye Name: (E)-2-(3-methoxybenzoyl)-3-[4-(1-piperidyl)phenyl]prop-2-enenitrile CAS Name: (E)-2-[(3-methoxyphenyl)-oxomethyl]-3-[4-(1-piperidinyl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(3-methoxybenzoyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile Traditional Name: (E)-2-m-anisoyl-3-(4-piperidinophenyl)acrylonitrile Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C(=CC2=CC=C(C=C2)N3CCCCC3)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)/C(=C/C2=CC=C(C=C2)N3CCCCC3)/C#N

InChI

InChI=1S/C22H22N2O2/c1-26-21-7-5-6-18(15-21)22(25)19(16-23)14-17-8-10-20(11-9-17)24-12-3-2-4-13-24/h5-11,14-15H,2-4,12-13H2,1H3/b19-14+