2-[6-[[(2S)-2-azanyl-4-methyl-pentyl]amino]-1-methyl-2-oxidanylidene-4-pyridin-4-yl-pyridin-3-yl]-3H-isoindol-1-one

Systemtic Name: 2-[6-[[(2S)-2-azanyl-4-methyl-pentyl]amino]-1-methyl-2-oxidanylidene-4-pyridin-4-yl-pyridin-3-yl]-3H-isoindol-1-one Openeye Name: 2-[6-[[(2S)-2-amino-4-methyl-pentyl]amino]-1-methyl-2-oxo-4-(4-pyridyl)-3-pyridyl]isoindolin-1-one CAS Name: 2-[6-[[(2S)-2-amino-4-methylpentyl]amino]-1-methyl-2-oxo-4-pyridin-4-yl-3-pyridinyl]-3H-isoindol-1-one IUPAC Name: 2-[6-[[(2S)-2-amino-4-methylpentyl]amino]-1-methyl-2-oxo-4-pyridin-4-ylpyridin-3-yl]-3H-isoindol-1-one Traditional Name: 2-[6-[[(2S)-2-amino-4-methyl-pentyl]amino]-2-keto-1-methyl-4-(4-pyridyl)-3-pyridyl]isoindolin-1-one Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC1=CC(=C(C(=O)N1C)N2CC3=CC=CC=C3C2=O)C4=CC=NC=C4)N

Isomeric SMILES

CC(C)C[C@@H](CNC1=CC(=C(C(=O)N1C)N2CC3=CC=CC=C3C2=O)C4=CC=NC=C4)N

InChI

InChI=1S/C25H29N5O2/c1-16(2)12-19(26)14-28-22-13-21(17-8-10-27-11-9-17)23(25(32)29(22)3)30-15-18-6-4-5-7-20(18)24(30)31/h4-11,13,16,19,28H,12,14-15,26H2,1-3H3/t19-/m0/s1