[4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]phenyl]-[4-(methylamino)piperidin-1-yl]methanone

Systemtic Name: [4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]phenyl]-[4-(methylamino)piperidin-1-yl]methanone Openeye Name: [4-[[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]phenyl]-[4-(methylamino)-1-piperidyl]methanone CAS Name: [4-[[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]phenyl]-[4-(methylamino)-1-piperidinyl]methanone IUPAC Name: [4-[[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]phenyl]-[4-(methylamino)piperidin-1-yl]methanone Traditional Name: [4-[[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]phenyl]-[4-(methylamino)piperidino]methanone Formula: C31H27ClF2N6O MolecularWeight: 573.035486

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Descriptors Computed from Structure

Canonical SMILES:

CNC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC=C4CN=C(C5=C(C4=N3)C=CC(=C5)Cl)C6=C(C=CC=C6F)F

Isomeric SMILES

CNC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC=C4CN=C(C5=C(C4=N3)C=CC(=C5)Cl)C6=C(C=CC=C6F)F

InChI

InChI=1S/C31H27ClF2N6O/c1-35-21-11-13-40(14-12-21)30(41)18-5-8-22(9-6-18)38-31-37-17-19-16-36-29(27-25(33)3-2-4-26(27)34)24-15-20(32)7-10-23(24)28(19)39-31/h2-10,15,17,21,35H,11-14,16H2,1H3,(H,37,38,39)