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

Systemtic Name: (4S)-4-[3-(furan-2-ylmethoxy)propyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-[3-(2-furylmethoxy)propyliminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-4-[3-(2-furanylmethoxy)propyliminomethyl]-2-(2-pyridinyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-4-[3-(furan-2-ylmethoxy)propyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-[3-(2-furfuryloxy)propyliminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-quinone Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(=O)N(C2=O)C3=CC=CC=N3)C=NCCCOCC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)[C@H](C(=O)N(C2=O)C3=CC=CC=N3)C=NCCCOCC4=CC=CO4

InChI

InChI=1S/C23H21N3O4/c27-22-19-9-2-1-8-18(19)20(23(28)26(22)21-10-3-4-12-25-21)15-24-11-6-13-29-16-17-7-5-14-30-17/h1-5,7-10,12,14-15,20H,6,11,13,16H2/t20-/m1/s1