3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-piperidyl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-piperidinyl]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-piperidyl]-1-(4-phenylpiperazino)propan-1-one Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCC1CCC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C27H35N3O3/c31-27(30-16-14-29(15-17-30)24-4-2-1-3-5-24)9-7-22-10-12-28(13-11-22)21-23-6-8-25-26(20-23)33-19-18-32-25/h1-6,8,20,22H,7,9-19,21H2