4-[[5-[(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]imidazol-1-yl]methyl]benzonitrile Formula: C21H19N5O2 MolecularWeight: 373.40786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)[N+](=O)[O-])CC3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)[N+](=O)[O-])CC3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H19N5O2/c22-10-16-1-3-17(4-2-16)12-25-15-23-11-21(25)14-24-8-7-18-5-6-20(26(27)28)9-19(18)13-24/h1-6,9,11,15H,7-8,12-14H2