4-[[[(1R,2S)-2-methylcyclohexyl]amino]methylidene]-2-pyridin-2-yl-isoquinoline-1,3-dione

Systemtic Name: 4-[[[(1R,2S)-2-methylcyclohexyl]amino]methylidene]-2-pyridin-2-yl-isoquinoline-1,3-dione Openeye Name: 4-[[[(1R,2S)-2-methylcyclohexyl]amino]methylene]-2-(2-pyridyl)isoquinoline-1,3-dione CAS Name: 4-[[[(1R,2S)-2-methylcyclohexyl]amino]methylidene]-2-(2-pyridinyl)isoquinoline-1,3-dione IUPAC Name: 4-[[[(1R,2S)-2-methylcyclohexyl]amino]methylidene]-2-pyridin-2-ylisoquinoline-1,3-dione Traditional Name: 4-[[[(1R,2S)-2-methylcyclohexyl]amino]methylene]-2-(2-pyridyl)isoquinoline-1,3-quinone Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C22H23N3O2/c1-15-8-2-5-11-19(15)24-14-18-16-9-3-4-10-17(16)21(26)25(22(18)27)20-12-6-7-13-23-20/h3-4,6-7,9-10,12-15,19,24H,2,5,8,11H2,1H3/t15-,19+/m0/s1