2-[[5-chloranyl-2-[(1-methyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-7-yl)amino]pyrimidin-4-yl]amino]cyclohexane-1-carboxamide

Systemtic Name: 2-[[5-chloranyl-2-[(1-methyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-7-yl)amino]pyrimidin-4-yl]amino]cyclohexane-1-carboxamide Openeye Name: 2-[[5-chloro-2-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)amino]pyrimidin-4-yl]amino]cyclohexanecarboxamide CAS Name: 2-[[5-chloro-2-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)amino]-4-pyrimidinyl]amino]-1-cyclohexanecarboxamide IUPAC Name: 2-[[5-chloro-2-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)amino]pyrimidin-4-yl]amino]cyclohexane-1-carboxamide Traditional Name: 2-[[5-chloro-2-[(2-keto-1-methyl-4,5-dihydro-3H-1-benzazepin-7-yl)amino]pyrimidin-4-yl]amino]cyclohexanecarboxamide Formula: C22H27ClN6O2 MolecularWeight: 442.94178

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CCCC2=C1C=CC(=C2)NC3=NC=C(C(=N3)NC4CCCCC4C(=O)N)Cl

Isomeric SMILES

CN1C(=O)CCCC2=C1C=CC(=C2)NC3=NC=C(C(=N3)NC4CCCCC4C(=O)N)Cl

InChI

InChI=1S/C22H27ClN6O2/c1-29-18-10-9-14(11-13(18)5-4-8-19(29)30)26-22-25-12-16(23)21(28-22)27-17-7-3-2-6-15(17)20(24)31/h9-12,15,17H,2-8H2,1H3,(H2,24,31)(H2,25,26,27,28)