4-[fluoranyl-[methyl(pyrrolidin-3-yl)amino]methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

Systemtic Name: 4-[fluoranyl-[methyl(pyrrolidin-3-yl)amino]methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 4-[fluoro-[methyl(pyrrolidin-3-yl)amino]methyl]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide CAS Name: 4-[fluoro-[methyl(3-pyrrolidinyl)amino]methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 4-[fluoro-[methyl(pyrrolidin-3-yl)amino]methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 4-[fluoro-[methyl(pyrrolidin-3-yl)amino]methyl]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C29H30FN7O MolecularWeight: 511.593203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C(N(C)C3CCNC3)F)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C(N(C)C3CCNC3)F)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C29H30FN7O/c1-19-5-10-23(16-26(19)36-29-33-15-12-25(35-29)22-4-3-13-31-17-22)34-28(38)21-8-6-20(7-9-21)27(30)37(2)24-11-14-32-18-24/h3-10,12-13,15-17,24,27,32H,11,14,18H2,1-2H3,(H,34,38)(H,33,35,36)