7-[[5-chloranyl-2-[[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]-2-methyl-3H-isoindol-1-one

Systemtic Name: 7-[[5-chloranyl-2-[[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]-2-methyl-3H-isoindol-1-one Openeye Name: 7-[[5-chloro-2-[2-methoxy-4-[4-(1-piperidyl)-1-piperidyl]anilino]pyrimidin-4-yl]amino]-2-methyl-isoindolin-1-one CAS Name: 7-[[5-chloro-2-[2-methoxy-4-[4-(1-piperidinyl)-1-piperidinyl]anilino]-4-pyrimidinyl]amino]-2-methyl-3H-isoindol-1-one IUPAC Name: 7-[[5-chloro-2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]amino]-2-methyl-3H-isoindol-1-one Traditional Name: 7-[[5-chloro-2-[2-methoxy-4-(4-piperidinopiperidino)anilino]pyrimidin-4-yl]amino]-2-methyl-isoindolin-1-one Formula: C30H36ClN7O2 MolecularWeight: 562.10554

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C1=O)C(=CC=C2)NC3=NC(=NC=C3Cl)NC4=C(C=C(C=C4)N5CCC(CC5)N6CCCCC6)OC

Isomeric SMILES

CN1CC2=C(C1=O)C(=CC=C2)NC3=NC(=NC=C3Cl)NC4=C(C=C(C=C4)N5CCC(CC5)N6CCCCC6)OC

InChI

InChI=1S/C30H36ClN7O2/c1-36-19-20-7-6-8-25(27(20)29(36)39)33-28-23(31)18-32-30(35-28)34-24-10-9-22(17-26(24)40-2)38-15-11-21(12-16-38)37-13-4-3-5-14-37/h6-10,17-18,21H,3-5,11-16,19H2,1-2H3,(H2,32,33,34,35)