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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)N=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

C1CCC(C1)(C#N)N=C[C@H]2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C21H18N4O2/c22-14-21(10-4-5-11-21)24-13-17-15-7-1-2-8-16(15)19(26)25(20(17)27)18-9-3-6-12-23-18/h1-3,6-9,12-13,17H,4-5,10-11H2/t17-/m0/s1