N2-pyren-1-ylbenzene-1,2-diamine

Systemtic Name: N2-pyren-1-ylbenzene-1,2-diamine Openeye Name: N2-pyren-1-ylbenzene-1,2-diamine CAS Name: N2-(1-pyrenyl)benzene-1,2-diamine IUPAC Name: 2-N-pyren-1-ylbenzene-1,2-diamine Traditional Name: (2-aminophenyl)-pyren-1-yl-amine Formula: C22H16N2 MolecularWeight: 308.37584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)NC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C1=CC=C(C(=C1)N)NC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C22H16N2/c23-18-6-1-2-7-20(18)24-19-13-11-16-9-8-14-4-3-5-15-10-12-17(19)22(16)21(14)15/h1-13,24H,23H2