3-[4-[3-[(3-phenoxyphenyl)methyl-(pyridin-3-ylmethyl)amino]propyl]piperazin-1-yl]propan-1-amine

Systemtic Name: 3-[4-[3-[(3-phenoxyphenyl)methyl-(pyridin-3-ylmethyl)amino]propyl]piperazin-1-yl]propan-1-amine Openeye Name: 3-[4-[3-[(3-phenoxyphenyl)methyl-(3-pyridylmethyl)amino]propyl]piperazin-1-yl]propan-1-amine CAS Name: 3-[4-[3-[(3-phenoxyphenyl)methyl-(3-pyridinylmethyl)amino]propyl]-1-piperazinyl]-1-propanamine IUPAC Name: 3-[4-[3-[(3-phenoxyphenyl)methyl-(pyridin-3-ylmethyl)amino]propyl]piperazin-1-yl]propan-1-amine Traditional Name: 3-[4-(3-aminopropyl)piperazino]propyl-(3-phenoxybenzyl)-(3-pyridylmethyl)amine Formula: C29H39N5O MolecularWeight: 473.65286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN)CCCN(CC2=CC(=CC=C2)OC3=CC=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1CCCN)CCCN(CC2=CC(=CC=C2)OC3=CC=CC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C29H39N5O/c30-13-6-15-32-18-20-33(21-19-32)16-7-17-34(25-27-9-5-14-31-23-27)24-26-8-4-12-29(22-26)35-28-10-2-1-3-11-28/h1-5,8-12,14,22-23H,6-7,13,15-21,24-25,30H2