[3-[[4-(1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-yl-methanone

Systemtic Name: [3-[[4-(1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-yl-methanone Openeye Name: [3-[[4-(1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]-(1-piperidyl)methanone CAS Name: [3-[[4-(1,4-benzodioxin-5-yl)-1-piperazinyl]methyl]phenyl]-(1-piperidinyl)methanone IUPAC Name: [3-[[4-(1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone Traditional Name: [3-[[4-(1,4-benzodioxin-5-yl)piperazino]methyl]phenyl]-piperidino-methanone Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC(=CC=C2)CN3CCN(CC3)C4=C5C(=CC=C4)OC=CO5

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC(=CC=C2)CN3CCN(CC3)C4=C5C(=CC=C4)OC=CO5

InChI

InChI=1S/C25H29N3O3/c29-25(28-10-2-1-3-11-28)21-7-4-6-20(18-21)19-26-12-14-27(15-13-26)22-8-5-9-23-24(22)31-17-16-30-23/h4-9,16-18H,1-3,10-15,19H2