N-(3-ethynylphenyl)-3H-[1,2]dioxolo[3,4-g]quinazolin-8-amine

Systemtic Name: N-(3-ethynylphenyl)-3H-[1,2]dioxolo[3,4-g]quinazolin-8-amine Openeye Name: N-(3-ethynylphenyl)-3H-dioxolo[3,4-g]quinazolin-8-amine CAS Name: N-(3-ethynylphenyl)-3H-dioxolo[3,4-g]quinazolin-8-amine IUPAC Name: N-(3-ethynylphenyl)-3H-dioxolo[3,4-g]quinazolin-8-amine Traditional Name: 3H-dioxolo[3,4-g]quinazolin-8-yl-(3-ethynylphenyl)amine Formula: C17H11N3O2 MolecularWeight: 289.28814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=CC4=C(C=C32)OOC4

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=CC4=C(C=C32)OOC4

InChI

InChI=1S/C17H11N3O2/c1-2-11-4-3-5-13(6-11)20-17-14-8-16-12(9-21-22-16)7-15(14)18-10-19-17/h1,3-8,10H,9H2,(H,18,19,20)