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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(1-phenyl-4-pyrazolyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(1-phenylpyrazol-4-yl)methyl]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)NCC4=CN(N=C4)C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CN(N=C4)C5=CC=CC=C5)OC1

InChI

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