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

Systemtic Name: 4-tert-butyl-N-[2-methyl-3-[1-methyl-6-oxidanylidene-5-[[5-(4-propan-2-ylpiperazin-1-yl)carbonylpyridin-2-yl]amino]pyridin-3-yl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[5-[[5-(4-isopropylpiperazine-1-carbonyl)-2-pyridyl]amino]-1-methyl-6-oxo-3-pyridyl]-2-methyl-phenyl]benzamide CAS Name: 4-tert-butyl-N-[2-methyl-3-[1-methyl-6-oxo-5-[[5-[oxo-(4-propan-2-yl-1-piperazinyl)methyl]-2-pyridinyl]amino]-3-pyridinyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-methyl-3-[1-methyl-6-oxo-5-[[5-(4-propan-2-ylpiperazine-1-carbonyl)pyridin-2-yl]amino]pyridin-3-yl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[5-[[5-(4-isopropylpiperazine-1-carbonyl)-2-pyridyl]amino]-6-keto-1-methyl-3-pyridyl]-2-methyl-phenyl]benzamide Formula: C37H44N6O3 MolecularWeight: 620.78366

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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(C)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(C)C)C

InChI

InChI=1S/C37H44N6O3/c1-24(2)42-17-19-43(20-18-42)35(45)27-13-16-33(38-22-27)39-32-21-28(23-41(7)36(32)46)30-9-8-10-31(25(30)3)40-34(44)26-11-14-29(15-12-26)37(4,5)6/h8-16,21-24H,17-20H2,1-7H3,(H,38,39)(H,40,44)