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

Systemtic Name: N'-phenyl-N-(pyren-1-ylmethyl)ethane-1,2-diamine hydrochloride Openeye Name: N'-phenyl-N-(pyren-1-ylmethyl)ethane-1,2-diamine hydrochloride CAS Name: N'-phenyl-N-(1-pyrenylmethyl)ethane-1,2-diamine hydrochloride IUPAC Name: N'-phenyl-N-(pyren-1-ylmethyl)ethane-1,2-diamine hydrochloride Traditional Name: 2-anilinoethyl(pyren-1-ylmethyl)amine hydrochloride Formula: C25H23ClN2 MolecularWeight: 386.91652

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2.ClH/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;1H