3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-yl-quinazolin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-yl-quinazolin-6-yl]benzenecarbonitrile Openeye Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholino-quinazolin-6-yl]benzonitrile CAS Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-(4-morpholinyl)-6-quinazolinyl]benzonitrile IUPAC Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzonitrile Traditional Name: 3-(2-homoveratryloxy-4-morpholino-quinazolin-6-yl)benzonitrile Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCOC2=NC3=C(C=C(C=C3)C4=CC=CC(=C4)C#N)C(=N2)N5CCOCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCOC2=NC3=C(C=C(C=C3)C4=CC=CC(=C4)C#N)C(=N2)N5CCOCC5)OC

InChI

InChI=1S/C29H28N4O4/c1-34-26-9-6-20(17-27(26)35-2)10-13-37-29-31-25-8-7-23(22-5-3-4-21(16-22)19-30)18-24(25)28(32-29)33-11-14-36-15-12-33/h3-9,16-18H,10-15H2,1-2H3