3-[[(4S)-1,3-bis(oxidanylidene)-2-pyridin-2-yl-4H-isoquinolin-4-yl]methylideneamino]propanenitrile

Systemtic Name: 3-[[(4S)-1,3-bis(oxidanylidene)-2-pyridin-2-yl-4H-isoquinolin-4-yl]methylideneamino]propanenitrile Openeye Name: 3-[[(4S)-1,3-dioxo-2-(2-pyridyl)-4H-isoquinolin-4-yl]methyleneamino]propanenitrile CAS Name: 3-[[(4S)-1,3-dioxo-2-(2-pyridinyl)-4H-isoquinolin-4-yl]methylideneamino]propanenitrile IUPAC Name: 3-[[(4S)-1,3-dioxo-2-pyridin-2-yl-4H-isoquinolin-4-yl]methylideneamino]propanenitrile Traditional Name: 3-[[(4S)-1,3-diketo-2-(2-pyridyl)-4H-isoquinolin-4-yl]methyleneamino]propionitrile Formula: C18H14N4O2 MolecularWeight: 318.32936

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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=NCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O2/c19-9-5-10-20-12-15-13-6-1-2-7-14(13)17(23)22(18(15)24)16-8-3-4-11-21-16/h1-4,6-8,11-12,15H,5,10H2/t15-/m1/s1