N-(benzo[b]pyren-6-ylmethyl)aniline

Systemtic Name: N-(benzo[b]pyren-6-ylmethyl)aniline Openeye Name: N-(benzo[b]pyren-6-ylmethyl)aniline CAS Name: N-(6-benzo[b]pyrenylmethyl)aniline IUPAC Name: N-(benzo[b]pyren-6-ylmethyl)aniline Traditional Name: benzo[b]pyren-6-ylmethyl(phenyl)amine Formula: C27H19N MolecularWeight: 357.44646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C6=CC=CC=C62

Isomeric SMILES

C1=CC=C(C=C1)NCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C6=CC=CC=C62

InChI

InChI=1S/C27H19N/c1-2-9-20(10-3-1)28-17-25-22-12-5-4-11-21(22)23-15-13-18-7-6-8-19-14-16-24(25)27(23)26(18)19/h1-16,28H,17H2