4-tert-butyl-N-[2-methyl-3-[1-methyl-6-oxidanylidene-5-[[5-(4-propan-2-ylpiperazin-1-yl)pyridin-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)pyridin-2-yl]amino]pyridin-3-yl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[5-[[5-(4-isopropylpiperazin-1-yl)-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-(4-propan-2-yl-1-piperazinyl)-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-ylpiperazin-1-yl)pyridin-2-yl]amino]pyridin-3-yl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[5-[[5-(4-isopropylpiperazino)-2-pyridyl]amino]-6-keto-1-methyl-3-pyridyl]-2-methyl-phenyl]benzamide Formula: C36H44N6O2 MolecularWeight: 592.77356

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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)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)N5CCN(CC5)C(C)C)C

InChI

InChI=1S/C36H44N6O2/c1-24(2)41-17-19-42(20-18-41)29-15-16-33(37-22-29)38-32-21-27(23-40(7)35(32)44)30-9-8-10-31(25(30)3)39-34(43)26-11-13-28(14-12-26)36(4,5)6/h8-16,21-24H,17-20H2,1-7H3,(H,37,38)(H,39,43)