N-[(2,4-dichlorophenyl)methyl]-2-[6-(methylamino)-2-phenyl-pyrimidin-4-yl]-1,3-dihydroisoindole-5-carboxamide

Systemtic Name: N-[(2,4-dichlorophenyl)methyl]-2-[6-(methylamino)-2-phenyl-pyrimidin-4-yl]-1,3-dihydroisoindole-5-carboxamide Openeye Name: N-[(2,4-dichlorophenyl)methyl]-2-[6-(methylamino)-2-phenyl-pyrimidin-4-yl]isoindoline-5-carboxamide CAS Name: N-[(2,4-dichlorophenyl)methyl]-2-[6-(methylamino)-2-phenyl-4-pyrimidinyl]-1,3-dihydroisoindole-5-carboxamide IUPAC Name: N-[(2,4-dichlorophenyl)methyl]-2-[6-(methylamino)-2-phenylpyrimidin-4-yl]-1,3-dihydroisoindole-5-carboxamide Traditional Name: N-(2,4-dichlorobenzyl)-2-[6-(methylamino)-2-phenyl-pyrimidin-4-yl]isoindoline-5-carboxamide Formula: C27H23Cl2N5O MolecularWeight: 504.41042

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC(=C1)N2CC3=C(C2)C=C(C=C3)C(=O)NCC4=C(C=C(C=C4)Cl)Cl)C5=CC=CC=C5

Isomeric SMILES

CNC1=NC(=NC(=C1)N2CC3=C(C2)C=C(C=C3)C(=O)NCC4=C(C=C(C=C4)Cl)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H23Cl2N5O/c1-30-24-13-25(33-26(32-24)17-5-3-2-4-6-17)34-15-20-8-7-18(11-21(20)16-34)27(35)31-14-19-9-10-22(28)12-23(19)29/h2-13H,14-16H2,1H3,(H,31,35)(H,30,32,33)