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

Systemtic Name: 1-[[(4S)-1,3-bis(oxidanylidene)-2-pyridin-2-yl-4H-isoquinolin-4-yl]methylideneamino]cyclohexane-1-carbonitrile Openeye Name: 1-[[(4S)-1,3-dioxo-2-(2-pyridyl)-4H-isoquinolin-4-yl]methyleneamino]cyclohexanecarbonitrile CAS Name: 1-[[(4S)-1,3-dioxo-2-(2-pyridinyl)-4H-isoquinolin-4-yl]methylideneamino]-1-cyclohexanecarbonitrile IUPAC Name: 1-[[(4S)-1,3-dioxo-2-pyridin-2-yl-4H-isoquinolin-4-yl]methylideneamino]cyclohexane-1-carbonitrile Traditional Name: 1-[[(4S)-1,3-diketo-2-(2-pyridyl)-4H-isoquinolin-4-yl]methyleneamino]cyclohexanecarbonitrile Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)N=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

C1CCC(CC1)(C#N)N=C[C@@H]2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C22H20N4O2/c23-15-22(11-5-1-6-12-22)25-14-18-16-8-2-3-9-17(16)20(27)26(21(18)28)19-10-4-7-13-24-19/h2-4,7-10,13-14,18H,1,5-6,11-12H2/t18-/m1/s1