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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(4-pyridylmethyl)pyrazol-3-yl]piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(pyridin-4-ylmethyl)-3-pyrazolyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(4-pyridylmethyl)pyrazol-3-yl]isonipecotamide Formula: C24H27N5O5S MolecularWeight: 497.56668

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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=NC=C5)OC1

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O5S/c30-24(27-23-6-11-26-29(23)17-18-4-9-25-10-5-18)19-7-12-28(13-8-19)35(31,32)20-2-3-21-22(16-20)34-15-1-14-33-21/h2-6,9-11,16,19H,1,7-8,12-15,17H2,(H,27,30)