N-(phenanthren-9-ylmethyl)-3-[4-[3-(phenanthren-9-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine

Systemtic Name: N-(phenanthren-9-ylmethyl)-3-[4-[3-(phenanthren-9-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine Openeye Name: N-(9-phenanthrylmethyl)-3-[4-[3-(9-phenanthrylmethylamino)propyl]piperazin-1-yl]propan-1-amine CAS Name: N-(9-phenanthrenylmethyl)-3-[4-[3-(9-phenanthrenylmethylamino)propyl]-1-piperazinyl]-1-propanamine IUPAC Name: N-(phenanthren-9-ylmethyl)-3-[4-[3-(phenanthren-9-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine Traditional Name: 9-phenanthrylmethyl-[3-[4-[3-(9-phenanthrylmethylamino)propyl]piperazino]propyl]amine Formula: C40H44N4 MolecularWeight: 580.80416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNCC2=CC3=CC=CC=C3C4=CC=CC=C42)CCCNCC5=CC6=CC=CC=C6C7=CC=CC=C75

Isomeric SMILES

C1CN(CCN1CCCNCC2=CC3=CC=CC=C3C4=CC=CC=C42)CCCNCC5=CC6=CC=CC=C6C7=CC=CC=C75

InChI

InChI=1S/C40H44N4/c1-3-13-35-31(11-1)27-33(37-15-5-7-17-39(35)37)29-41-19-9-21-43-23-25-44(26-24-43)22-10-20-42-30-34-28-32-12-2-4-14-36(32)40-18-8-6-16-38(34)40/h1-8,11-18,27-28,41-42H,9-10,19-26,29-30H2