N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCCO2)NC(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C25H23N3O3S/c1-17(19-9-10-21-22(14-19)31-12-11-30-21)26-25(29)20-16-28(15-18-6-3-2-4-7-18)27-24(20)23-8-5-13-32-23/h2-10,13-14,16-17H,11-12,15H2,1H3,(H,26,29)/t17-/m0/s1