6-(4-azabicyclo[3.2.1]octa-1(8),2,4,6-tetraen-6-yl)-2-(3-ethynylphenyl)-1,4,4a,8a-tetrahydroquinazoline

Systemtic Name: 6-(4-azabicyclo[3.2.1]octa-1(8),2,4,6-tetraen-6-yl)-2-(3-ethynylphenyl)-1,4,4a,8a-tetrahydroquinazoline Openeye Name: 6-(4-azabicyclo[3.2.1]octa-1(8),2,4,6-tetraen-6-yl)-2-(3-ethynylphenyl)-1,4,4a,8a-tetrahydroquinazoline CAS Name: 6-(4-azabicyclo[3.2.1]octa-1(8),2,4,6-tetraen-6-yl)-2-(3-ethynylphenyl)-1,4,4a,8a-tetrahydroquinazoline IUPAC Name: 6-(4-azabicyclo[3.2.1]octa-1(8),2,4,6-tetraen-6-yl)-2-(3-ethynylphenyl)-1,4,4a,8a-tetrahydroquinazoline Traditional Name: 6-(4-azabicyclo[3.2.1]octa-1(8),2,4,6-tetraen-6-yl)-2-(3-ethynylphenyl)-1,4,4a,8a-tetrahydroquinazoline Formula: C23H17N3 MolecularWeight: 335.40118

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)C2=NCC3C=C(C=CC3N2)C4=CC5=CC4=NC=C5

Isomeric SMILES

C#CC1=CC(=CC=C1)C2=NCC3C=C(C=CC3N2)C4=CC5=CC4=NC=C5

InChI

InChI=1S/C23H17N3/c1-2-15-4-3-5-18(10-15)23-25-14-19-13-17(6-7-21(19)26-23)20-11-16-8-9-24-22(20)12-16/h1,3-13,19,21H,14H2,(H,25,26)