(4S)-4-(3-imidazol-1-ylpropyliminomethyl)-2-pyridin-2-yl-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-4-(3-imidazol-1-ylpropyliminomethyl)-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-(3-imidazol-1-ylpropyliminomethyl)-2-(2-pyridyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-4-[3-(1-imidazolyl)propyliminomethyl]-2-(2-pyridinyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-4-(3-imidazol-1-ylpropyliminomethyl)-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-(3-imidazol-1-ylpropyliminomethyl)-2-(2-pyridyl)-4H-isoquinoline-1,3-quinone Formula: C21H19N5O2 MolecularWeight: 373.40786

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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=NCCCN4C=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)[C@H](C(=O)N(C2=O)C3=CC=CC=N3)C=NCCCN4C=CN=C4

InChI

InChI=1S/C21H19N5O2/c27-20-17-7-2-1-6-16(17)18(14-22-9-5-12-25-13-11-23-15-25)21(28)26(20)19-8-3-4-10-24-19/h1-4,6-8,10-11,13-15,18H,5,9,12H2/t18-/m1/s1