4-tert-butyl-N-[2-methyl-3-[1-methyl-6-oxidanylidene-5-[[2-(3-oxidanylpyrrolidin-1-yl)pyrimidin-4-yl]amino]pyridazin-3-yl]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-methyl-3-[1-methyl-6-oxidanylidene-5-[[2-(3-oxidanylpyrrolidin-1-yl)pyrimidin-4-yl]amino]pyridazin-3-yl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[5-[[2-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-6-oxo-pyridazin-3-yl]-2-methyl-phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[5-[[2-(3-hydroxy-1-pyrrolidinyl)-4-pyrimidinyl]amino]-1-methyl-6-oxo-3-pyridazinyl]-2-methylphenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[5-[[2-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-6-oxopyridazin-3-yl]-2-methylphenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[5-[[2-(3-hydroxypyrrolidino)pyrimidin-4-yl]amino]-6-keto-1-methyl-pyridazin-3-yl]-2-methyl-phenyl]benzamide Formula: C31H35N7O3 MolecularWeight: 553.6547

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NN(C(=O)C(=C3)NC4=NC(=NC=C4)N5CCC(C5)O)C

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NN(C(=O)C(=C3)NC4=NC(=NC=C4)N5CCC(C5)O)C

InChI

InChI=1S/C31H35N7O3/c1-19-23(7-6-8-24(19)34-28(40)20-9-11-21(12-10-20)31(2,3)4)25-17-26(29(41)37(5)36-25)33-27-13-15-32-30(35-27)38-16-14-22(39)18-38/h6-13,15,17,22,39H,14,16,18H2,1-5H3,(H,34,40)(H,32,33,35)