3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-1-methyl-pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-1-methyl-pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(2-furyl)-2-(1-piperidyl)ethyl]-1-methyl-pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(2-furanyl)-2-(1-piperidinyl)ethyl]-1-methyl-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylpyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(2-furyl)-2-piperidino-ethyl]-1-methyl-pyrazole-4-carboxamide Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCC(C4=CC=CO4)N5CCCCC5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCC(C4=CC=CO4)N5CCCCC5

InChI

InChI=1S/C25H30N4O4/c1-28-17-19(24(27-28)18-8-9-22-23(15-18)33-14-6-13-32-22)25(30)26-16-20(21-7-5-12-31-21)29-10-3-2-4-11-29/h5,7-9,12,15,17,20H,2-4,6,10-11,13-14,16H2,1H3,(H,26,30)