(NZ)-N-[[2-(pyren-1-ylmethyl)-3H-isoquinolin-3-yl]methylidene]hydroxylamine

Systemtic Name: (NZ)-N-[[2-(pyren-1-ylmethyl)-3H-isoquinolin-3-yl]methylidene]hydroxylamine Openeye Name: (3Z)-2-(pyren-1-ylmethyl)-3H-isoquinoline-3-carbaldehyde oxime CAS Name: (3Z)-2-(1-pyrenylmethyl)-3H-isoquinoline-3-carboxaldehyde oxime IUPAC Name: (NZ)-N-[[2-(pyren-1-ylmethyl)-3H-isoquinolin-3-yl]methylidene]hydroxylamine Traditional Name: (3Z)-2-(pyren-1-ylmethyl)-3H-isoquinoline-3-carbaldehyde oxime Formula: C27H20N2O MolecularWeight: 388.4605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(N(C=C2C=C1)CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)C=NO

Isomeric SMILES

C1=CC2=CC(N(C=C2C=C1)CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)/C=N\O

InChI

InChI=1S/C27H20N2O/c30-28-15-24-14-21-4-1-2-5-22(21)16-29(24)17-23-11-10-20-9-8-18-6-3-7-19-12-13-25(23)27(20)26(18)19/h1-16,24,30H,17H2/b28-15-