(E)-2-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(3-methylphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(3-methylphenyl)prop-2-enenitrile Openeye Name: (E)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-3-(m-tolyl)prop-2-enenitrile CAS Name: (E)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-3-(3-methylphenyl)-2-propenenitrile IUPAC Name: (E)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-3-(3-methylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(7-chloro-4-keto-1H-quinazolin-2-yl)-3-(m-tolyl)acrylonitrile Formula: C18H12ClN3O MolecularWeight: 321.76038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C(C#N)C2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC(=C1)/C=C(\C#N)/C2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C18H12ClN3O/c1-11-3-2-4-12(7-11)8-13(10-20)17-21-16-9-14(19)5-6-15(16)18(23)22-17/h2-9H,1H3,(H,21,22,23)/b13-8+