(E)-3-(2-chloranyl-7-methyl-quinolin-3-yl)-2-(3-methylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(2-chloranyl-7-methyl-quinolin-3-yl)-2-(3-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(2-chloro-7-methyl-3-quinolyl)-2-(3-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(2-chloro-7-methyl-3-quinolinyl)-2-[(3-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(2-chloro-7-methylquinolin-3-yl)-2-(3-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(2-chloro-7-methyl-3-quinolyl)-2-m-toluoyl-acrylonitrile Formula: C21H15ClN2O MolecularWeight: 346.8096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C=C(C#N)C(=O)C3=CC(=CC=C3)C)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)/C=C(\C#N)/C(=O)C3=CC(=CC=C3)C)Cl

InChI

InChI=1S/C21H15ClN2O/c1-13-4-3-5-16(8-13)20(25)18(12-23)11-17-10-15-7-6-14(2)9-19(15)24-21(17)22/h3-11H,1-2H3/b18-11+