(E)-3-(2-chloranyl-8-methyl-quinolin-3-yl)-2-(2-methylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(2-chloranyl-8-methyl-quinolin-3-yl)-2-(2-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(2-chloro-8-methyl-3-quinolyl)-2-(2-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(2-chloro-8-methyl-3-quinolinyl)-2-[(2-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(2-chloro-8-methylquinolin-3-yl)-2-(2-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(2-chloro-8-methyl-3-quinolyl)-2-o-toluoyl-acrylonitrile Formula: C21H15ClN2O MolecularWeight: 346.8096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C(=CC2=C(N=C3C(=CC=CC3=C2)C)Cl)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)/C(=C/C2=C(N=C3C(=CC=CC3=C2)C)Cl)/C#N

InChI

InChI=1S/C21H15ClN2O/c1-13-6-3-4-9-18(13)20(25)17(12-23)11-16-10-15-8-5-7-14(2)19(15)24-21(16)22/h3-11H,1-2H3/b17-11+