2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6,7-dimethoxy-N-(3-pyridin-4-ylpropyl)quinazolin-4-amine

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6,7-dimethoxy-N-(3-pyridin-4-ylpropyl)quinazolin-4-amine Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6,7-dimethoxy-N-[3-(4-pyridyl)propyl]quinazolin-4-amine CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6,7-dimethoxy-N-(3-pyridin-4-ylpropyl)-4-quinazolinamine IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6,7-dimethoxy-N-(3-pyridin-4-ylpropyl)quinazolin-4-amine Traditional Name: [2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6,7-dimethoxy-quinazolin-4-yl]-[3-(4-pyridyl)propyl]amine Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C=CC3=CC4=C(C=C3)OCO4)NCCCC5=CC=NC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)/C=C/C3=CC4=C(C=C3)OCO4)NCCCC5=CC=NC=C5)OC

InChI

InChI=1S/C27H26N4O4/c1-32-23-15-20-21(16-24(23)33-2)30-26(8-6-19-5-7-22-25(14-19)35-17-34-22)31-27(20)29-11-3-4-18-9-12-28-13-10-18/h5-10,12-16H,3-4,11,17H2,1-2H3,(H,29,30,31)/b8-6+