2-[(4-methylphenyl)-pyren-1-yl-amino]ethanal

Systemtic Name: 2-[(4-methylphenyl)-pyren-1-yl-amino]ethanal Openeye Name: 2-(4-methyl-N-pyren-1-yl-anilino)acetaldehyde CAS Name: 2-[4-methyl-N-(1-pyrenyl)anilino]acetaldehyde IUPAC Name: 2-(4-methyl-N-pyren-1-ylanilino)acetaldehyde Traditional Name: 2-(4-methyl-N-pyren-1-yl-anilino)acetaldehyde Formula: C25H19NO MolecularWeight: 349.42446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC=O)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

CC1=CC=C(C=C1)N(CC=O)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C25H19NO/c1-17-5-11-21(12-6-17)26(15-16-27)23-14-10-20-8-7-18-3-2-4-19-9-13-22(23)25(20)24(18)19/h2-14,16H,15H2,1H3