2-(5-chloranylpyridin-2-yl)-4-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-(5-chloranylpyridin-2-yl)-4-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-(5-chloro-2-pyridyl)-4-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-(5-chloro-2-pyridinyl)-4-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-(5-chloropyridin-2-yl)-4-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-(5-chloro-2-pyridyl)-4-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4H-isoquinoline-1,3-quinone Formula: C22H22ClN3O2 MolecularWeight: 395.88198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=NC=C(C=C4)Cl

Isomeric SMILES

C[C@H]1CCCC[C@@H]1N=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=NC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN3O2/c1-14-6-2-5-9-19(14)24-13-18-16-7-3-4-8-17(16)21(27)26(22(18)28)20-11-10-15(23)12-25-20/h3-4,7-8,10-14,18-19H,2,5-6,9H2,1H3/t14-,18?,19-/m0/s1