3-(2-chloranyl-8-methyl-quinolin-3-yl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: 3-(2-chloranyl-8-methyl-quinolin-3-yl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: 3-(2-chloro-8-methyl-3-quinolyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: 3-(2-chloro-8-methyl-3-quinolinyl)-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: 3-(2-chloro-8-methylquinolin-3-yl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: 3-(2-chloro-8-methyl-3-quinolyl)-2-(4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C21H13ClN4O MolecularWeight: 372.80712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)Cl)C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)Cl)C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H13ClN4O/c1-12-5-4-6-13-9-14(19(22)25-18(12)13)10-15(11-23)20-24-17-8-3-2-7-16(17)21(27)26-20/h2-10H,1H3,(H,24,26,27)