6-[[5-chloranyl-4-[(2-methoxy-4-morpholin-4-yl-phenyl)amino]pyrimidin-2-yl]amino]-3-ethyl-7-methoxy-2,5-dihydro-1H-3-benzazepin-4-one

Systemtic Name: 6-[[5-chloranyl-4-[(2-methoxy-4-morpholin-4-yl-phenyl)amino]pyrimidin-2-yl]amino]-3-ethyl-7-methoxy-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 6-[[5-chloro-4-(2-methoxy-4-morpholino-anilino)pyrimidin-2-yl]amino]-3-ethyl-7-methoxy-2,5-dihydro-1H-3-benzazepin-4-one CAS Name: 6-[[5-chloro-4-[2-methoxy-4-(4-morpholinyl)anilino]-2-pyrimidinyl]amino]-3-ethyl-7-methoxy-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 6-[[5-chloro-4-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-2-yl]amino]-3-ethyl-7-methoxy-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 6-[[5-chloro-4-(2-methoxy-4-morpholino-anilino)pyrimidin-2-yl]amino]-3-ethyl-7-methoxy-2,5-dihydro-1H-3-benzazepin-4-one Formula: C28H33ClN6O4 MolecularWeight: 553.05242

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(CC1=O)C(=C(C=C2)OC)NC3=NC=C(C(=N3)NC4=C(C=C(C=C4)N5CCOCC5)OC)Cl

Isomeric SMILES

CCN1CCC2=C(CC1=O)C(=C(C=C2)OC)NC3=NC=C(C(=N3)NC4=C(C=C(C=C4)N5CCOCC5)OC)Cl

InChI

InChI=1S/C28H33ClN6O4/c1-4-34-10-9-18-5-8-23(37-2)26(20(18)16-25(34)36)32-28-30-17-21(29)27(33-28)31-22-7-6-19(15-24(22)38-3)35-11-13-39-14-12-35/h5-8,15,17H,4,9-14,16H2,1-3H3,(H2,30,31,32,33)