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

Systemtic Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide Openeye Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide CAS Name: N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-(1-pyrrolidinylmethyl)benzamide IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide Traditional Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-(pyrrolidinomethyl)benzamide Formula: C28H28N6O MolecularWeight: 464.56152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N6O/c1-20-6-11-24(31-27(35)22-9-7-21(8-10-22)19-34-15-2-3-16-34)17-26(20)33-28-30-14-12-25(32-28)23-5-4-13-29-18-23/h4-14,17-18H,2-3,15-16,19H2,1H3,(H,31,35)(H,30,32,33)