9-[[5-chloranyl-4-[(2-methoxy-4-morpholin-4-yl-phenyl)amino]pyrimidin-2-yl]amino]-6-methoxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one

Systemtic Name: 9-[[5-chloranyl-4-[(2-methoxy-4-morpholin-4-yl-phenyl)amino]pyrimidin-2-yl]amino]-6-methoxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one Openeye Name: 9-[[5-chloro-4-(2-methoxy-4-morpholino-anilino)pyrimidin-2-yl]amino]-6-methoxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one CAS Name: 9-[[5-chloro-4-[2-methoxy-4-(4-morpholinyl)anilino]-2-pyrimidinyl]amino]-6-methoxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one IUPAC Name: 9-[[5-chloro-4-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-2-yl]amino]-6-methoxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one Traditional Name: 9-[[5-chloro-4-(2-methoxy-4-morpholino-anilino)pyrimidin-2-yl]amino]-6-methoxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one Formula: C27H31ClN6O4 MolecularWeight: 539.02584

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CCCC2=C(C=CC(=C21)NC3=NC=C(C(=N3)NC4=C(C=C(C=C4)N5CCOCC5)OC)Cl)OC

Isomeric SMILES

CN1C(=O)CCCC2=C(C=CC(=C21)NC3=NC=C(C(=N3)NC4=C(C=C(C=C4)N5CCOCC5)OC)Cl)OC

InChI

InChI=1S/C27H31ClN6O4/c1-33-24(35)6-4-5-18-22(36-2)10-9-21(25(18)33)31-27-29-16-19(28)26(32-27)30-20-8-7-17(15-23(20)37-3)34-11-13-38-14-12-34/h7-10,15-16H,4-6,11-14H2,1-3H3,(H2,29,30,31,32)