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

Systemtic Name: 4-tert-butyl-N-[2-methyl-3-[1-methyl-6-oxidanylidene-5-[(5-piperazin-1-ylpyridin-2-yl)amino]pyridin-3-yl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[2-methyl-3-[1-methyl-6-oxo-5-[(5-piperazin-1-yl-2-pyridyl)amino]-3-pyridyl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[2-methyl-3-[1-methyl-6-oxo-5-[[5-(1-piperazinyl)-2-pyridinyl]amino]-3-pyridinyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-methyl-3-[1-methyl-6-oxo-5-[(5-piperazin-1-ylpyridin-2-yl)amino]pyridin-3-yl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[6-keto-1-methyl-5-[(5-piperazino-2-pyridyl)amino]-3-pyridyl]-2-methyl-phenyl]benzamide Formula: C33H38N6O2 MolecularWeight: 550.69382

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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)N5CCNCC5)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)N5CCNCC5)C

InChI

InChI=1S/C33H38N6O2/c1-22-27(7-6-8-28(22)37-31(40)23-9-11-25(12-10-23)33(2,3)4)24-19-29(32(41)38(5)21-24)36-30-14-13-26(20-35-30)39-17-15-34-16-18-39/h6-14,19-21,34H,15-18H2,1-5H3,(H,35,36)(H,37,40)