N'-phenyl-N-(pyren-1-ylmethyl)ethane-1,2-diamine

Systemtic Name: N'-phenyl-N-(pyren-1-ylmethyl)ethane-1,2-diamine Openeye Name: N'-phenyl-N-(pyren-1-ylmethyl)ethane-1,2-diamine CAS Name: N'-phenyl-N-(1-pyrenylmethyl)ethane-1,2-diamine IUPAC Name: N'-phenyl-N-(pyren-1-ylmethyl)ethane-1,2-diamine Traditional Name: 2-anilinoethyl(pyren-1-ylmethyl)amine Formula: C25H22N2 MolecularWeight: 350.45558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCCNCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C1=CC=C(C=C1)NCCNCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C25H22N2/c1-2-7-22(8-3-1)27-16-15-26-17-21-12-11-20-10-9-18-5-4-6-19-13-14-23(21)25(20)24(18)19/h1-14,26-27H,15-17H2