1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(phenylmethyl)pyrazol-3-yl]piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(phenylmethyl)pyrazol-3-yl]piperidine-4-carboxamide Openeye Name: N-(2-benzylpyrazol-3-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(phenylmethyl)-3-pyrazolyl]-4-piperidinecarboxamide IUPAC Name: N-(2-benzylpyrazol-3-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(2-benzylpyrazol-3-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotamide Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=NN4CC5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=NN4CC5=CC=CC=C5)OC1

InChI

InChI=1S/C25H28N4O5S/c30-25(27-24-9-12-26-29(24)18-19-5-2-1-3-6-19)20-10-13-28(14-11-20)35(31,32)21-7-8-22-23(17-21)34-16-4-15-33-22/h1-3,5-9,12,17,20H,4,10-11,13-16,18H2,(H,27,30)