N-(phenylmethyl)-N'-(pyren-1-ylmethyl)butane-1,4-diamine

Systemtic Name: N-(phenylmethyl)-N'-(pyren-1-ylmethyl)butane-1,4-diamine Openeye Name: N-benzyl-N'-(pyren-1-ylmethyl)butane-1,4-diamine CAS Name: N-(phenylmethyl)-N'-(1-pyrenylmethyl)butane-1,4-diamine IUPAC Name: N-benzyl-N'-(pyren-1-ylmethyl)butane-1,4-diamine Traditional Name: benzyl-[4-(pyren-1-ylmethylamino)butyl]amine Formula: C28H28N2 MolecularWeight: 392.53532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCCCNCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C1=CC=C(C=C1)CNCCCCNCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C28H28N2/c1-2-7-21(8-3-1)19-29-17-4-5-18-30-20-25-14-13-24-12-11-22-9-6-10-23-15-16-26(25)28(24)27(22)23/h1-3,6-16,29-30H,4-5,17-20H2