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

Systemtic Name: 4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)carbonylpyridin-2-yl]amino]-6-oxidanylidene-pyridin-3-yl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[[5-[(4-methyl-1-piperazinyl)-oxomethyl]-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[[5-(4-methylpiperazine-1-carbonyl)pyridin-2-yl]amino]-6-oxopyridin-3-yl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[6-keto-1-methyl-5-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridyl]amino]-3-pyridyl]-2-methyl-phenyl]benzamide Formula: C35H40N6O3 MolecularWeight: 592.7305

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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

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

InChI

InChI=1S/C35H40N6O3/c1-23-28(8-7-9-29(23)38-32(42)24-10-13-27(14-11-24)35(2,3)4)26-20-30(34(44)40(6)22-26)37-31-15-12-25(21-36-31)33(43)41-18-16-39(5)17-19-41/h7-15,20-22H,16-19H2,1-6H3,(H,36,37)(H,38,42)