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

Systemtic Name: (E)-2-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile Openeye Name: (E)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-3-(4-morpholinophenyl)prop-2-enenitrile CAS Name: (E)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-3-[4-(4-morpholinyl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(7-chloro-4-keto-1H-quinazolin-2-yl)-3-(4-morpholinophenyl)acrylonitrile Formula: C21H17ClN4O2 MolecularWeight: 392.83828

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C=C(C#N)C3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)/C=C(\C#N)/C3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN4O2/c22-16-3-6-18-19(12-16)24-20(25-21(18)27)15(13-23)11-14-1-4-17(5-2-14)26-7-9-28-10-8-26/h1-6,11-12H,7-10H2,(H,24,25,27)/b15-11+