3-[4-[3-(pyren-1-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine

Systemtic Name: 3-[4-[3-(pyren-1-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine Openeye Name: 3-[4-[3-(pyren-1-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine CAS Name: 3-[4-[3-(1-pyrenylmethylamino)propyl]-1-piperazinyl]-1-propanamine IUPAC Name: 3-[4-[3-(pyren-1-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine Traditional Name: 3-[4-(3-aminopropyl)piperazino]propyl-(pyren-1-ylmethyl)amine Formula: C27H34N4 MolecularWeight: 414.58566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN)CCCNCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C1CN(CCN1CCCN)CCCNCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C27H34N4/c28-12-2-14-30-16-18-31(19-17-30)15-3-13-29-20-24-9-8-23-7-6-21-4-1-5-22-10-11-25(24)27(23)26(21)22/h1,4-11,29H,2-3,12-20,28H2