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

Systemtic Name: 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonyl-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-oxomethyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]-N-phenyl-isonipecotamide Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)N4CCC(CC4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)N4CCC(CC4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C26H28N4O4/c1-29-17-21(24(28-29)19-8-9-22-23(16-19)34-15-5-14-33-22)26(32)30-12-10-18(11-13-30)25(31)27-20-6-3-2-4-7-20/h2-4,6-9,16-18H,5,10-15H2,1H3,(H,27,31)