9-[[5-chloranyl-4-[(2-methoxy-4-morpholin-4-yl-phenyl)amino]pyrimidin-2-yl]amino]-1-ethyl-6-methoxy-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]-1-ethyl-6-methoxy-4,5-dihydro-3H-1-benzazepin-2-one Openeye Name: 9-[[5-chloro-4-(2-methoxy-4-morpholino-anilino)pyrimidin-2-yl]amino]-1-ethyl-6-methoxy-4,5-dihydro-3H-1-benzazepin-2-one CAS Name: 9-[[5-chloro-4-[2-methoxy-4-(4-morpholinyl)anilino]-2-pyrimidinyl]amino]-1-ethyl-6-methoxy-4,5-dihydro-3H-1-benzazepin-2-one IUPAC Name: 9-[[5-chloro-4-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-2-yl]amino]-1-ethyl-6-methoxy-4,5-dihydro-3H-1-benzazepin-2-one Traditional Name: 9-[[5-chloro-4-(2-methoxy-4-morpholino-anilino)pyrimidin-2-yl]amino]-1-ethyl-6-methoxy-4,5-dihydro-3H-1-benzazepin-2-one Formula: C28H33ClN6O4 MolecularWeight: 553.05242

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CCCC2=C(C=CC(=C21)NC3=NC=C(C(=N3)NC4=C(C=C(C=C4)N5CCOCC5)OC)Cl)OC

Isomeric SMILES

CCN1C(=O)CCCC2=C(C=CC(=C21)NC3=NC=C(C(=N3)NC4=C(C=C(C=C4)N5CCOCC5)OC)Cl)OC

InChI

InChI=1S/C28H33ClN6O4/c1-4-35-25(36)7-5-6-19-23(37-2)11-10-22(26(19)35)32-28-30-17-20(29)27(33-28)31-21-9-8-18(16-24(21)38-3)34-12-14-39-15-13-34/h8-11,16-17H,4-7,12-15H2,1-3H3,(H2,30,31,32,33)