N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C25H23N3O3S/c1-27(15-19-9-10-21-22(14-19)31-12-11-30-21)25(29)20-17-28(16-18-6-3-2-4-7-18)26-24(20)23-8-5-13-32-23/h2-10,13-14,17H,11-12,15-16H2,1H3