(4S)-4-[3-(2-oxidanylidenepyrrolidin-1-yl)propyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-4-[3-(2-oxidanylidenepyrrolidin-1-yl)propyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-4-[3-(2-oxo-1-pyrrolidinyl)propyliminomethyl]-2-(2-pyridinyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-4-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-[3-(2-ketopyrrolidino)propyliminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-quinone Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

C1CC(=O)N(C1)CCCN=C[C@@H]2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C22H22N4O3/c27-20-10-5-13-25(20)14-6-11-23-15-18-16-7-1-2-8-17(16)21(28)26(22(18)29)19-9-3-4-12-24-19/h1-4,7-9,12,15,18H,5-6,10-11,13-14H2/t18-/m1/s1