2-phenyl-N-(pyren-1-ylmethyl)ethanamine

Systemtic Name: 2-phenyl-N-(pyren-1-ylmethyl)ethanamine Openeye Name: 2-phenyl-N-(pyren-1-ylmethyl)ethanamine CAS Name: 2-phenyl-N-(1-pyrenylmethyl)ethanamine IUPAC Name: 2-phenyl-N-(pyren-1-ylmethyl)ethanamine Traditional Name: phenethyl(pyren-1-ylmethyl)amine Formula: C25H21N MolecularWeight: 335.44094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C1=CC=C(C=C1)CCNCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C25H21N/c1-2-5-18(6-3-1)15-16-26-17-22-12-11-21-10-9-19-7-4-8-20-13-14-23(22)25(21)24(19)20/h1-14,26H,15-17H2