4-tert-butyl-N-[3-[5-[[5-(4-ethanoylpiperazin-1-yl)carbonylpyridin-2-yl]amino]-1-methyl-6-oxidanylidene-pyridin-3-yl]-2-methyl-phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[5-[[5-(4-ethanoylpiperazin-1-yl)carbonylpyridin-2-yl]amino]-1-methyl-6-oxidanylidene-pyridin-3-yl]-2-methyl-phenyl]benzamide Openeye Name: N-[3-[5-[[5-(4-acetylpiperazine-1-carbonyl)-2-pyridyl]amino]-1-methyl-6-oxo-3-pyridyl]-2-methyl-phenyl]-4-tert-butyl-benzamide CAS Name: N-[3-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]-4-tert-butylbenzamide IUPAC Name: N-[3-[5-[[5-(4-acetylpiperazine-1-carbonyl)pyridin-2-yl]amino]-1-methyl-6-oxopyridin-3-yl]-2-methylphenyl]-4-tert-butylbenzamide Traditional Name: N-[3-[5-[[5-(4-acetylpiperazine-1-carbonyl)-2-pyridyl]amino]-6-keto-1-methyl-3-pyridyl]-2-methyl-phenyl]-4-tert-butyl-benzamide Formula: C36H40N6O4 MolecularWeight: 620.7406

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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=CN(C(=O)C(=C3)NC4=NC=C(C=C4)C(=O)N5CCN(CC5)C(=O)C)C

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CN(C(=O)C(=C3)NC4=NC=C(C=C4)C(=O)N5CCN(CC5)C(=O)C)C

InChI

InChI=1S/C36H40N6O4/c1-23-29(8-7-9-30(23)39-33(44)25-10-13-28(14-11-25)36(3,4)5)27-20-31(35(46)40(6)22-27)38-32-15-12-26(21-37-32)34(45)42-18-16-41(17-19-42)24(2)43/h7-15,20-22H,16-19H2,1-6H3,(H,37,38)(H,39,44)