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

Systemtic Name: (2R)-2-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-4H-isoquinolin-4-yl]methylideneamino]-2-cyclopropyl-propanenitrile Openeye Name: (2R)-2-cyclopropyl-2-[[1,3-dioxo-2-(2-pyridyl)-4H-isoquinolin-4-yl]methyleneamino]propanenitrile CAS Name: (2R)-2-cyclopropyl-2-[[1,3-dioxo-2-(2-pyridinyl)-4H-isoquinolin-4-yl]methylideneamino]propanenitrile IUPAC Name: (2R)-2-cyclopropyl-2-[(1,3-dioxo-2-pyridin-2-yl-4H-isoquinolin-4-yl)methylideneamino]propanenitrile Traditional Name: (2R)-2-cyclopropyl-2-[[1,3-diketo-2-(2-pyridyl)-4H-isoquinolin-4-yl]methyleneamino]propionitrile Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)N=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

C[C@](C#N)(C1CC1)N=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C21H18N4O2/c1-21(13-22,14-9-10-14)24-12-17-15-6-2-3-7-16(15)19(26)25(20(17)27)18-8-4-5-11-23-18/h2-8,11-12,14,17H,9-10H2,1H3/t17?,21-/m0/s1