5-(pyren-1-ylmethylamino)pentan-1-ol

Systemtic Name: 5-(pyren-1-ylmethylamino)pentan-1-ol Openeye Name: 5-(pyren-1-ylmethylamino)pentan-1-ol CAS Name: 5-(1-pyrenylmethylamino)-1-pentanol IUPAC Name: 5-(pyren-1-ylmethylamino)pentan-1-ol Traditional Name: 5-(pyren-1-ylmethylamino)pentan-1-ol Formula: C22H23NO MolecularWeight: 317.42412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNCCCCCO

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNCCCCCO

InChI

InChI=1S/C22H23NO/c24-14-3-1-2-13-23-15-19-10-9-18-8-7-16-5-4-6-17-11-12-20(19)22(18)21(16)17/h4-12,23-24H,1-3,13-15H2