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

Systemtic Name: 4-tert-butyl-N-[3-[5-[[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino]-1-methyl-6-oxidanylidene-pyridin-3-yl]-2-methyl-phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[5-[[5-(4-ethylpiperazin-1-yl)-2-pyridyl]amino]-1-methyl-6-oxo-3-pyridyl]-2-methyl-phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[5-[[5-(4-ethyl-1-piperazinyl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[5-[[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino]-1-methyl-6-oxopyridin-3-yl]-2-methylphenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[5-[[5-(4-ethylpiperazino)-2-pyridyl]amino]-6-keto-1-methyl-3-pyridyl]-2-methyl-phenyl]benzamide Formula: C35H42N6O2 MolecularWeight: 578.74698

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=CC=C4)NC(=O)C5=CC=C(C=C5)C(C)(C)C)C

Isomeric SMILES

CCN1CCN(CC1)C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=CC=C4)NC(=O)C5=CC=C(C=C5)C(C)(C)C)C

InChI

InChI=1S/C35H42N6O2/c1-7-40-17-19-41(20-18-40)28-15-16-32(36-22-28)37-31-21-26(23-39(6)34(31)43)29-9-8-10-30(24(29)2)38-33(42)25-11-13-27(14-12-25)35(3,4)5/h8-16,21-23H,7,17-20H2,1-6H3,(H,36,37)(H,38,42)