4-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-[(4-propoxyphenyl)methyl]benzamide

Systemtic Name: 4-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-[(4-propoxyphenyl)methyl]benzamide Openeye Name: 4-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-[(4-propoxyphenyl)methyl]benzamide CAS Name: 4-[[5-(3-fluorophenyl)-2-pyrimidinyl]amino]-N-[(4-propoxyphenyl)methyl]benzamide IUPAC Name: 4-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-[(4-propoxyphenyl)methyl]benzamide Traditional Name: 4-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(4-propoxybenzyl)benzamide Formula: C27H25FN4O2 MolecularWeight: 456.511403

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)NC3=NC=C(C=N3)C4=CC(=CC=C4)F

Isomeric SMILES

CCCOC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)NC3=NC=C(C=N3)C4=CC(=CC=C4)F

InChI

InChI=1S/C27H25FN4O2/c1-2-14-34-25-12-6-19(7-13-25)16-29-26(33)20-8-10-24(11-9-20)32-27-30-17-22(18-31-27)21-4-3-5-23(28)15-21/h3-13,15,17-18H,2,14,16H2,1H3,(H,29,33)(H,30,31,32)