4-tert-butyl-N-[2-methyl-3-[2-[[4-(3-methylpiperidin-1-yl)carbonylphenyl]amino]pyrimidin-4-yl]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-methyl-3-[2-[[4-(3-methylpiperidin-1-yl)carbonylphenyl]amino]pyrimidin-4-yl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[2-methyl-3-[2-[4-(3-methylpiperidine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[2-methyl-3-[2-[4-[(3-methyl-1-piperidinyl)-oxomethyl]anilino]-4-pyrimidinyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-methyl-3-[2-[4-(3-methylpiperidine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[2-methyl-3-[2-[4-(3-methylpiperidine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]benzamide Formula: C35H39N5O2 MolecularWeight: 561.71646

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=C(C(=CC=C4)NC(=O)C5=CC=C(C=C5)C(C)(C)C)C

Isomeric SMILES

CC1CCCN(C1)C(=O)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=C(C(=CC=C4)NC(=O)C5=CC=C(C=C5)C(C)(C)C)C

InChI

InChI=1S/C35H39N5O2/c1-23-8-7-21-40(22-23)33(42)26-13-17-28(18-14-26)37-34-36-20-19-31(39-34)29-9-6-10-30(24(29)2)38-32(41)25-11-15-27(16-12-25)35(3,4)5/h6,9-20,23H,7-8,21-22H2,1-5H3,(H,38,41)(H,36,37,39)