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

Systemtic Name: (2R)-2-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-4H-isoquinolin-4-yl]methylideneamino]-2,3-dimethyl-butanenitrile Openeye Name: (2R)-2-[[1,3-dioxo-2-(2-pyridyl)-4H-isoquinolin-4-yl]methyleneamino]-2,3-dimethyl-butanenitrile CAS Name: (2R)-2-[[1,3-dioxo-2-(2-pyridinyl)-4H-isoquinolin-4-yl]methylideneamino]-2,3-dimethylbutanenitrile IUPAC Name: (2R)-2-[(1,3-dioxo-2-pyridin-2-yl-4H-isoquinolin-4-yl)methylideneamino]-2,3-dimethylbutanenitrile Traditional Name: (2R)-2-[[1,3-diketo-2-(2-pyridyl)-4H-isoquinolin-4-yl]methyleneamino]-2,3-dimethyl-butyronitrile Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)N=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=N3

Isomeric SMILES

CC(C)[C@](C)(C#N)N=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=N3

InChI

InChI=1S/C21H20N4O2/c1-14(2)21(3,13-22)24-12-17-15-8-4-5-9-16(15)19(26)25(20(17)27)18-10-6-7-11-23-18/h4-12,14,17H,1-3H3/t17?,21-/m0/s1