(E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)-2-(4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=C(C#N)C2=NC(=O)C3=CC=CC=C3N2)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC(=O)C3=CC=CC=C3N2)OC

InChI

InChI=1S/C21H19N3O3/c1-13(2)27-18-9-8-14(11-19(18)26-3)10-15(12-22)20-23-17-7-5-4-6-16(17)21(25)24-20/h4-11,13H,1-3H3,(H,23,24,25)/b15-10+