3-[3-(2-cyanoethyl)-8a-oxidanyl-4-oxidanylidene-2-phenyl-5,6,7,8-tetrahydroquinazolin-4a-yl]propanenitrile

Systemtic Name: 3-[3-(2-cyanoethyl)-8a-oxidanyl-4-oxidanylidene-2-phenyl-5,6,7,8-tetrahydroquinazolin-4a-yl]propanenitrile Openeye Name: 3-[3-(2-cyanoethyl)-8a-hydroxy-4-oxo-2-phenyl-5,6,7,8-tetrahydroquinazolin-4a-yl]propanenitrile CAS Name: 3-[3-(2-cyanoethyl)-8a-hydroxy-4-oxo-2-phenyl-5,6,7,8-tetrahydroquinazolin-4a-yl]propanenitrile IUPAC Name: 3-[3-(2-cyanoethyl)-8a-hydroxy-4-oxo-2-phenyl-5,6,7,8-tetrahydroquinazolin-4a-yl]propanenitrile Traditional Name: 3-[3-(2-cyanoethyl)-8a-hydroxy-4-keto-2-phenyl-5,6,7,8-tetrahydroquinazolin-4a-yl]propionitrile Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(C1)(C(=O)N(C(=N2)C3=CC=CC=C3)CCC#N)CCC#N)O

Isomeric SMILES

C1CCC2(C(C1)(C(=O)N(C(=N2)C3=CC=CC=C3)CCC#N)CCC#N)O

InChI

InChI=1S/C20H22N4O2/c21-13-6-11-19-10-4-5-12-20(19,26)23-17(16-8-2-1-3-9-16)24(18(19)25)15-7-14-22/h1-3,8-9,26H,4-7,10-12,15H2