1-[4-[[5-chloranyl-4-[(2-methyl-3-oxidanylidene-1H-isoindol-4-yl)amino]pyrimidin-2-yl]amino]-3-methoxy-phenyl]piperidine-4-carboxamide

Systemtic Name: 1-[4-[[5-chloranyl-4-[(2-methyl-3-oxidanylidene-1H-isoindol-4-yl)amino]pyrimidin-2-yl]amino]-3-methoxy-phenyl]piperidine-4-carboxamide Openeye Name: 1-[4-[[5-chloro-4-[(2-methyl-3-oxo-isoindolin-4-yl)amino]pyrimidin-2-yl]amino]-3-methoxy-phenyl]piperidine-4-carboxamide CAS Name: 1-[4-[[5-chloro-4-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]-2-pyrimidinyl]amino]-3-methoxyphenyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-[[5-chloro-4-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidine-4-carboxamide Traditional Name: 1-[4-[[5-chloro-4-[(3-keto-2-methyl-isoindolin-4-yl)amino]pyrimidin-2-yl]amino]-3-methoxy-phenyl]isonipecotamide Formula: C26H28ClN7O3 MolecularWeight: 521.99862

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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)C(=O)N)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H28ClN7O3/c1-33-14-16-4-3-5-20(22(16)25(33)36)30-24-18(27)13-29-26(32-24)31-19-7-6-17(12-21(19)37-2)34-10-8-15(9-11-34)23(28)35/h3-7,12-13,15H,8-11,14H2,1-2H3,(H2,28,35)(H2,29,30,31,32)