(4S)-4-[2-(1H-indol-3-yl)ethyliminomethyl]-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-4-[2-(1H-indol-3-yl)ethyliminomethyl]-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-[2-(1H-indol-3-yl)ethyliminomethyl]-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-4-[2-(1H-indol-3-yl)ethyliminomethyl]-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-4-[2-(1H-indol-3-yl)ethyliminomethyl]-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-[2-(1H-indol-3-yl)ethyliminomethyl]-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-quinone Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCCC4=CNC5=CC=CC=C54

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NCCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H23N3O3/c1-33-20-8-6-7-19(15-20)30-26(31)23-11-3-2-10-22(23)24(27(30)32)17-28-14-13-18-16-29-25-12-5-4-9-21(18)25/h2-12,15-17,24,29H,13-14H2,1H3/t24-/m1/s1