(4S)-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyliminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyliminomethyl]-2-(2-pyridinyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyliminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-quinone Formula: C24H19N3O4 MolecularWeight: 413.42536

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CN=CC3C4=CC=CC=C4C(=O)N(C3=O)C5=CC=CC=N5

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)CN=C[C@@H]3C4=CC=CC=C4C(=O)N(C3=O)C5=CC=CC=N5

InChI

InChI=1S/C24H19N3O4/c28-23-18-8-2-1-7-17(18)19(24(29)27(23)22-11-5-6-12-26-22)14-25-13-16-15-30-20-9-3-4-10-21(20)31-16/h1-12,14,16,19H,13,15H2/t16-,19+/m0/s1