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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2C1=O)NC3=NC(=NC=C3Cl)NC4=CC=CC=C4OC)N5CCC(CC5)N6CCCCC6

Isomeric SMILES

CN1CC2=C(C=CC(=C2C1=O)NC3=NC(=NC=C3Cl)NC4=CC=CC=C4OC)N5CCC(CC5)N6CCCCC6

InChI

InChI=1S/C30H36ClN7O2/c1-36-19-21-25(38-16-12-20(13-17-38)37-14-6-3-7-15-37)11-10-24(27(21)29(36)39)33-28-22(31)18-32-30(35-28)34-23-8-4-5-9-26(23)40-2/h4-5,8-11,18,20H,3,6-7,12-17,19H2,1-2H3,(H2,32,33,34,35)