1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide

Systemtic Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide Openeye Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide CAS Name: 1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-5-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-pyrazolecarboxamide IUPAC Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide Traditional Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(4-fluorobenzyl)pyrazole-4-carboxamide Formula: C25H20FN5O3 MolecularWeight: 457.456403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C=NN2C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5)C(=O)NCC6=CC=C(C=C6)F

Isomeric SMILES

C1CC1C2=C(C=NN2C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5)C(=O)NCC6=CC=C(C=C6)F

InChI

InChI=1S/C25H20FN5O3/c26-18-6-1-15(2-7-18)12-28-24(32)19-13-29-31(23(19)16-3-4-16)25-27-10-9-20(30-25)17-5-8-21-22(11-17)34-14-33-21/h1-2,5-11,13,16H,3-4,12,14H2,(H,28,32)