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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide Openeye Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(3-thienylmethyl)pyrazole-4-carboxamide CAS Name: 1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-5-cyclopropyl-N-(3-thiophenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide Traditional Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(3-thenyl)pyrazole-4-carboxamide Formula: C23H19N5O3S MolecularWeight: 445.49366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N5O3S/c29-22(25-10-14-6-8-32-12-14)17-11-26-28(21(17)15-1-2-15)23-24-7-5-18(27-23)16-3-4-19-20(9-16)31-13-30-19/h3-9,11-12,15H,1-2,10,13H2,(H,25,29)