[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]-(4-phenylpiperazino)methanone Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C(NN=C3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C(NN=C3)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H22N4O3/c27-22(26-10-8-25(9-11-26)17-4-2-1-3-5-17)18-15-23-24-21(18)16-6-7-19-20(14-16)29-13-12-28-19/h1-7,14-15H,8-13H2,(H,23,24)