2-(3-ethynylcyclohexa-2,4-dien-1-yl)-6-iodanyl-1,4,4a,8a-tetrahydroquinazoline

Systemtic Name: 2-(3-ethynylcyclohexa-2,4-dien-1-yl)-6-iodanyl-1,4,4a,8a-tetrahydroquinazoline Openeye Name: 2-(3-ethynylcyclohexa-2,4-dien-1-yl)-6-iodo-1,4,4a,8a-tetrahydroquinazoline CAS Name: 2-(3-ethynyl-1-cyclohexa-2,4-dienyl)-6-iodo-1,4,4a,8a-tetrahydroquinazoline IUPAC Name: 2-(3-ethynylcyclohexa-2,4-dien-1-yl)-6-iodo-1,4,4a,8a-tetrahydroquinazoline Traditional Name: 2-(3-ethynylcyclohexa-2,4-dien-1-yl)-6-iodo-1,4,4a,8a-tetrahydroquinazoline Formula: C16H15IN2 MolecularWeight: 362.20817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(CC=C1)C2=NCC3C=C(C=CC3N2)I

Isomeric SMILES

C#CC1=CC(CC=C1)C2=NCC3C=C(C=CC3N2)I

InChI

InChI=1S/C16H15IN2/c1-2-11-4-3-5-12(8-11)16-18-10-13-9-14(17)6-7-15(13)19-16/h1,3-4,6-9,12-13,15H,5,10H2,(H,18,19)