3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-(6-methoxy-4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: 3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-(6-methoxy-4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: 3-(4-isopentyloxy-3-methoxy-phenyl)-2-(6-methoxy-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: 3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-(6-methoxy-4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: 3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-(6-methoxy-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: 3-(4-isoamoxy-3-methoxy-phenyl)-2-(4-keto-6-methoxy-1H-quinazolin-2-yl)acrylonitrile Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C=C(C#N)C2=NC(=O)C3=C(N2)C=CC(=C3)OC)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C=C(C#N)C2=NC(=O)C3=C(N2)C=CC(=C3)OC)OC

InChI

InChI=1S/C24H25N3O4/c1-15(2)9-10-31-21-8-5-16(12-22(21)30-4)11-17(14-25)23-26-20-7-6-18(29-3)13-19(20)24(28)27-23/h5-8,11-13,15H,9-10H2,1-4H3,(H,26,27,28)