5-[3-[(3E)-2-oxidanylidene-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]prop-2-ynyl]phenanthridin-6-one

Systemtic Name: 5-[3-[(3E)-2-oxidanylidene-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]prop-2-ynyl]phenanthridin-6-one Openeye Name: 5-[3-[(3E)-2-oxo-3-(1H-pyrrol-2-ylmethylene)indolin-5-yl]prop-2-ynyl]phenanthridin-6-one CAS Name: 5-[3-[(3E)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]prop-2-ynyl]-6-phenanthridinone IUPAC Name: 5-[3-[(3E)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]prop-2-ynyl]phenanthridin-6-one Traditional Name: 5-[3-[(3E)-2-keto-3-(1H-pyrrol-2-ylmethylene)indolin-5-yl]prop-2-ynyl]phenanthridin-6-one Formula: C29H19N3O2 MolecularWeight: 441.48006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3N(C2=O)CC#CC4=CC5=C(C=C4)NC(=O)C5=CC6=CC=CN6

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N(C2=O)CC#CC4=CC\5=C(C=C4)NC(=O)/C5=C/C6=CC=CN6

InChI

InChI=1S/C29H19N3O2/c33-28-25(18-20-8-5-15-30-20)24-17-19(13-14-26(24)31-28)7-6-16-32-27-12-4-3-10-22(27)21-9-1-2-11-23(21)29(32)34/h1-5,8-15,17-18,30H,16H2,(H,31,33)/b25-18+