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

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-(4-phenylpiperazino)methanone Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O3/c1-26-17-20(23(25-26)18-8-9-21-22(16-18)31-15-5-14-30-21)24(29)28-12-10-27(11-13-28)19-6-3-2-4-7-19/h2-4,6-9,16-17H,5,10-15H2,1H3