(E)-2-(3-methylphenyl)carbonyl-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(3-methylphenyl)carbonyl-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile Openeye Name: (E)-2-(3-methylbenzoyl)-3-(4-morpholinophenyl)prop-2-enenitrile CAS Name: (E)-2-[(3-methylphenyl)-oxomethyl]-3-[4-(4-morpholinyl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(3-methylbenzoyl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile Traditional Name: (E)-3-(4-morpholinophenyl)-2-m-toluoyl-acrylonitrile Formula: C21H20N2O2 MolecularWeight: 332.3957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C(=CC2=CC=C(C=C2)N3CCOCC3)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)/C(=C/C2=CC=C(C=C2)N3CCOCC3)/C#N

InChI

InChI=1S/C21H20N2O2/c1-16-3-2-4-18(13-16)21(24)19(15-22)14-17-5-7-20(8-6-17)23-9-11-25-12-10-23/h2-8,13-14H,9-12H2,1H3/b19-14+