N-(azepan-1-yl)-1-(5-nitroisoquinolin-1-yl)methanimine

Systemtic Name: N-(azepan-1-yl)-1-(5-nitroisoquinolin-1-yl)methanimine Openeye Name: N-(azepan-1-yl)-1-(5-nitro-1-isoquinolyl)methanimine CAS Name: N-(1-azepanyl)-1-(5-nitro-1-isoquinolinyl)methanimine IUPAC Name: N-(azepan-1-yl)-1-(5-nitroisoquinolin-1-yl)methanimine Traditional Name: (E)-azepan-1-yl-[(5-nitro-1-isoquinolyl)methylene]amine Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)N=CC2=NC=CC3=C2C=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)/N=C/C2=NC=CC3=C2C=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O2/c21-20(22)16-7-5-6-13-14(16)8-9-17-15(13)12-18-19-10-3-1-2-4-11-19/h5-9,12H,1-4,10-11H2/b18-12+