N'-(pyren-1-ylmethyl)butane-1,4-diamine

Systemtic Name: N'-(pyren-1-ylmethyl)butane-1,4-diamine Openeye Name: N'-(pyren-1-ylmethyl)butane-1,4-diamine CAS Name: N'-(1-pyrenylmethyl)butane-1,4-diamine IUPAC Name: N'-(pyren-1-ylmethyl)butane-1,4-diamine Traditional Name: 4-aminobutyl(pyren-1-ylmethyl)amine Formula: C21H22N2 MolecularWeight: 302.41278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2/c22-12-1-2-13-23-14-18-9-8-17-7-6-15-4-3-5-16-10-11-19(18)21(17)20(15)16/h3-11,23H,1-2,12-14,22H2