1-(pyren-1-ylmethylamino)butan-2-ol

Systemtic Name: 1-(pyren-1-ylmethylamino)butan-2-ol Openeye Name: 1-(pyren-1-ylmethylamino)butan-2-ol CAS Name: 1-(1-pyrenylmethylamino)-2-butanol IUPAC Name: 1-(pyren-1-ylmethylamino)butan-2-ol Traditional Name: 1-(pyren-1-ylmethylamino)butan-2-ol Formula: C21H21NO MolecularWeight: 303.39754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)O

Isomeric SMILES

CCC(CNCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)O

InChI

InChI=1S/C21H21NO/c1-2-18(23)13-22-12-17-9-8-16-7-6-14-4-3-5-15-10-11-19(17)21(16)20(14)15/h3-11,18,22-23H,2,12-13H2,1H3