3-[(6,7-dimethoxy-2-phenyl-quinazolin-4-yl)amino]propanenitrile

Systemtic Name: 3-[(6,7-dimethoxy-2-phenyl-quinazolin-4-yl)amino]propanenitrile Openeye Name: 3-[(6,7-dimethoxy-2-phenyl-quinazolin-4-yl)amino]propanenitrile CAS Name: 3-[(6,7-dimethoxy-2-phenyl-4-quinazolinyl)amino]propanenitrile IUPAC Name: 3-[(6,7-dimethoxy-2-phenylquinazolin-4-yl)amino]propanenitrile Traditional Name: 3-[(6,7-dimethoxy-2-phenyl-quinazolin-4-yl)amino]propionitrile Formula: C19H18N4O2 MolecularWeight: 334.37182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3)NCCC#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3)NCCC#N)OC

InChI

InChI=1S/C19H18N4O2/c1-24-16-11-14-15(12-17(16)25-2)22-18(13-7-4-3-5-8-13)23-19(14)21-10-6-9-20/h3-5,7-8,11-12H,6,10H2,1-2H3,(H,21,22,23)