3-[(E)-2-[6,7-dimethoxy-4-(3-oxidanylpropylamino)quinazolin-2-yl]ethenyl]benzenecarbonitrile

Systemtic Name: 3-[(E)-2-[6,7-dimethoxy-4-(3-oxidanylpropylamino)quinazolin-2-yl]ethenyl]benzenecarbonitrile Openeye Name: 3-[(E)-2-[4-(3-hydroxypropylamino)-6,7-dimethoxy-quinazolin-2-yl]vinyl]benzonitrile CAS Name: 3-[(E)-2-[4-(3-hydroxypropylamino)-6,7-dimethoxy-2-quinazolinyl]ethenyl]benzonitrile IUPAC Name: 3-[(E)-2-[4-(3-hydroxypropylamino)-6,7-dimethoxyquinazolin-2-yl]ethenyl]benzonitrile Traditional Name: 3-[(E)-2-[4-(3-hydroxypropylamino)-6,7-dimethoxy-quinazolin-2-yl]vinyl]benzonitrile Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C=CC3=CC=CC(=C3)C#N)NCCCO)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3/c1-28-19-12-17-18(13-20(19)29-2)25-21(26-22(17)24-9-4-10-27)8-7-15-5-3-6-16(11-15)14-23/h3,5-8,11-13,27H,4,9-10H2,1-2H3,(H,24,25,26)/b8-7+