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

Systemtic Name: 4-tert-butyl-N-[2-methyl-3-[1-methyl-6-oxidanylidene-5-[(2-pyrrolidin-1-ylpyrimidin-4-yl)amino]pyridazin-3-yl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[2-methyl-3-[1-methyl-6-oxo-5-[(2-pyrrolidin-1-ylpyrimidin-4-yl)amino]pyridazin-3-yl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[2-methyl-3-[1-methyl-6-oxo-5-[[2-(1-pyrrolidinyl)-4-pyrimidinyl]amino]-3-pyridazinyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-methyl-3-[1-methyl-6-oxo-5-[(2-pyrrolidin-1-ylpyrimidin-4-yl)amino]pyridazin-3-yl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[6-keto-1-methyl-5-[(2-pyrrolidinopyrimidin-4-yl)amino]pyridazin-3-yl]-2-methyl-phenyl]benzamide Formula: C31H35N7O2 MolecularWeight: 537.6553

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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)N5CCCC5)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)N5CCCC5)C

InChI

InChI=1S/C31H35N7O2/c1-20-23(9-8-10-24(20)34-28(39)21-11-13-22(14-12-21)31(2,3)4)25-19-26(29(40)37(5)36-25)33-27-15-16-32-30(35-27)38-17-6-7-18-38/h8-16,19H,6-7,17-18H2,1-5H3,(H,34,39)(H,32,33,35)