pyren-1-yl(3,7,10,16-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-7-yl)methanone

Systemtic Name: pyren-1-yl(3,7,10,16-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-7-yl)methanone Openeye Name: pyren-1-yl(3,7,10,16-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-7-yl)methanone CAS Name: 1-pyrenyl(3,7,10,16-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-7-yl)methanone IUPAC Name: pyren-1-yl(3,7,10,16-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-7-yl)methanone Traditional Name: pyren-1-yl(3,7,10,16-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-7-yl)methanone Formula: C29H28N4O MolecularWeight: 448.55882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=NC(=CC=C2)CNCCN(C1)C(=O)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

Isomeric SMILES

C1CNCC2=NC(=CC=C2)CNCCN(C1)C(=O)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

InChI

InChI=1S/C29H28N4O/c34-29(33-16-3-14-30-18-23-6-2-7-24(32-23)19-31-15-17-33)26-13-11-22-9-8-20-4-1-5-21-10-12-25(26)28(22)27(20)21/h1-2,4-13,30-31H,3,14-19H2