[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-(4-phenethylpiperazin-1-yl)methanone

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-(4-phenethylpiperazin-1-yl)methanone Openeye Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-(4-phenethylpiperazin-1-yl)methanone CAS Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-(4-phenethyl-1-piperazinyl)methanone IUPAC Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]-(4-phenethylpiperazin-1-yl)methanone Traditional Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-(4-phenethylpiperazino)methanone Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)N4CCN(CC4)CCC5=CC=CC=C5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)N4CCN(CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C26H30N4O3/c1-28-19-22(25(27-28)21-8-9-23-24(18-21)33-17-5-16-32-23)26(31)30-14-12-29(13-15-30)11-10-20-6-3-2-4-7-20/h2-4,6-9,18-19H,5,10-17H2,1H3