1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-(furan-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

Systemtic Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-(furan-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide Openeye Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-(2-furyl)-N-(2-pyridylmethyl)pyrazole-4-carboxamide CAS Name: 1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-5-(2-furanyl)-N-(2-pyridinylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-(furan-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide Traditional Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-(2-furyl)-N-(2-pyridylmethyl)pyrazole-4-carboxamide Formula: C25H18N6O4 MolecularWeight: 466.44822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC(=NC=C3)N4C(=C(C=N4)C(=O)NCC5=CC=CC=N5)C6=CC=CO6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC(=NC=C3)N4C(=C(C=N4)C(=O)NCC5=CC=CC=N5)C6=CC=CO6

InChI

InChI=1S/C25H18N6O4/c32-24(28-13-17-4-1-2-9-26-17)18-14-29-31(23(18)21-5-3-11-33-21)25-27-10-8-19(30-25)16-6-7-20-22(12-16)35-15-34-20/h1-12,14H,13,15H2,(H,28,32)