3-bromanyl-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide

Systemtic Name: 3-bromanyl-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide Openeye Name: 3-bromo-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide CAS Name: 3-bromo-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-(1-pyrrolidinylmethyl)benzamide IUPAC Name: 3-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide Traditional Name: 3-bromo-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-(pyrrolidinomethyl)benzamide Formula: C28H27BrN6O MolecularWeight: 543.45758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCCC3)Br)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCCC3)Br)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C28H27BrN6O/c1-19-6-9-23(16-26(19)34-28-31-12-10-25(33-28)21-5-4-11-30-17-21)32-27(36)20-7-8-22(24(29)15-20)18-35-13-2-3-14-35/h4-12,15-17H,2-3,13-14,18H2,1H3,(H,32,36)(H,31,33,34)