N-ethyl-N-(pyren-1-ylmethyl)ethanamine

Systemtic Name: N-ethyl-N-(pyren-1-ylmethyl)ethanamine Openeye Name: N-ethyl-N-(pyren-1-ylmethyl)ethanamine CAS Name: N-ethyl-N-(1-pyrenylmethyl)ethanamine IUPAC Name: N-ethyl-N-(pyren-1-ylmethyl)ethanamine Traditional Name: diethyl(pyren-1-ylmethyl)amine Formula: C21H21N MolecularWeight: 287.39814

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CCN(CC)CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C21H21N/c1-3-22(4-2)14-18-11-10-17-9-8-15-6-5-7-16-12-13-19(18)21(17)20(15)16/h5-13H,3-4,14H2,1-2H3