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

Systemtic Name: 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-(3-pyrrolidin-1-ylphenyl)benzamide Openeye Name: 4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]-N-(3-pyrrolidin-1-ylphenyl)benzamide CAS Name: 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[3-(1-pyrrolidinyl)phenyl]benzamide IUPAC Name: 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-(3-pyrrolidin-1-ylphenyl)benzamide Traditional Name: 4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]-N-(3-pyrrolidinophenyl)benzamide Formula: C27H26N6O MolecularWeight: 450.53494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)N3CCCC3)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)N3CCCC3)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C27H26N6O/c1-19-9-10-20(26(34)30-22-7-4-8-23(17-22)33-14-2-3-15-33)16-25(19)32-27-29-13-11-24(31-27)21-6-5-12-28-18-21/h4-13,16-18H,2-3,14-15H2,1H3,(H,30,34)(H,29,31,32)