2-(3-chlorophenyl)-4-[2-(5-methoxy-1H-indol-3-yl)ethyliminomethyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-(3-chlorophenyl)-4-[2-(5-methoxy-1H-indol-3-yl)ethyliminomethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-(3-chlorophenyl)-4-[2-(5-methoxy-1H-indol-3-yl)ethyliminomethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-(3-chlorophenyl)-4-[2-(5-methoxy-1H-indol-3-yl)ethyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-(3-chlorophenyl)-4-[2-(5-methoxy-1H-indol-3-yl)ethyliminomethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-(3-chlorophenyl)-4-[2-(5-methoxy-1H-indol-3-yl)ethyliminomethyl]-4H-isoquinoline-1,3-quinone Formula: C27H22ClN3O3 MolecularWeight: 471.93488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CCN=CC3C4=CC=CC=C4C(=O)N(C3=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CCN=CC3C4=CC=CC=C4C(=O)N(C3=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H22ClN3O3/c1-34-20-9-10-25-23(14-20)17(15-30-25)11-12-29-16-24-21-7-2-3-8-22(21)26(32)31(27(24)33)19-6-4-5-18(28)13-19/h2-10,13-16,24,30H,11-12H2,1H3