N-(phenylmethyl)-N'-(pyren-1-ylmethyl)propane-1,3-diamine

Systemtic Name: N-(phenylmethyl)-N'-(pyren-1-ylmethyl)propane-1,3-diamine Openeye Name: N-benzyl-N'-(pyren-1-ylmethyl)propane-1,3-diamine CAS Name: N-(phenylmethyl)-N'-(1-pyrenylmethyl)propane-1,3-diamine IUPAC Name: N-benzyl-N'-(pyren-1-ylmethyl)propane-1,3-diamine Traditional Name: benzyl-[3-(pyren-1-ylmethylamino)propyl]amine Formula: C27H26N2 MolecularWeight: 378.50874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCCNCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C1=CC=C(C=C1)CNCCCNCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C27H26N2/c1-2-6-20(7-3-1)18-28-16-5-17-29-19-24-13-12-23-11-10-21-8-4-9-22-14-15-25(24)27(23)26(21)22/h1-4,6-15,28-29H,5,16-19H2