[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone

Systemtic Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone Openeye Name: (3-benzyloxyphenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methanone CAS Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-(3-phenylmethoxyphenyl)methanone IUPAC Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone Traditional Name: (3-benzoxyphenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]methanone Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H28N2O4/c30-27(23-7-4-8-24(18-23)33-20-21-5-2-1-3-6-21)29-13-11-28(12-14-29)19-22-9-10-25-26(17-22)32-16-15-31-25/h1-10,17-18H,11-16,19-20H2