4-[[6,7-dimethoxy-2-[(3-methylphenyl)amino]quinazolin-4-yl]oxymethyl]benzenecarbonitrile

Systemtic Name: 4-[[6,7-dimethoxy-2-[(3-methylphenyl)amino]quinazolin-4-yl]oxymethyl]benzenecarbonitrile Openeye Name: 4-[[6,7-dimethoxy-2-(3-methylanilino)quinazolin-4-yl]oxymethyl]benzonitrile CAS Name: 4-[[6,7-dimethoxy-2-(3-methylanilino)-4-quinazolinyl]oxymethyl]benzonitrile IUPAC Name: 4-[[6,7-dimethoxy-2-(3-methylanilino)quinazolin-4-yl]oxymethyl]benzonitrile Traditional Name: 4-[[6,7-dimethoxy-2-(m-toluidino)quinazolin-4-yl]oxymethyl]benzonitrile Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC3=CC(=C(C=C3C(=N2)OCC4=CC=C(C=C4)C#N)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC3=CC(=C(C=C3C(=N2)OCC4=CC=C(C=C4)C#N)OC)OC

InChI

InChI=1S/C25H22N4O3/c1-16-5-4-6-19(11-16)27-25-28-21-13-23(31-3)22(30-2)12-20(21)24(29-25)32-15-18-9-7-17(14-26)8-10-18/h4-13H,15H2,1-3H3,(H,27,28,29)