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

Systemtic Name: 4-[fluoranyl-(pyrrolidin-3-ylamino)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 4-[fluoro-(pyrrolidin-3-ylamino)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide CAS Name: 4-[fluoro-(3-pyrrolidinylamino)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 4-[fluoro-(pyrrolidin-3-ylamino)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 4-[fluoro-(pyrrolidin-3-ylamino)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C28H28FN7O MolecularWeight: 497.566623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C(NC3CCNC3)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(NC3CCNC3)F)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C28H28FN7O/c1-18-4-9-22(15-25(18)36-28-32-14-11-24(35-28)21-3-2-12-30-16-21)34-27(37)20-7-5-19(6-8-20)26(29)33-23-10-13-31-17-23/h2-9,11-12,14-16,23,26,31,33H,10,13,17H2,1H3,(H,34,37)(H,32,35,36)