1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(6-nitro-1H-benzimidazol-2-yl)propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(6-nitro-1H-benzimidazol-2-yl)propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(6-nitro-1H-benzimidazol-2-yl)propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(6-nitro-1H-benzimidazol-2-yl)-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(6-nitro-1H-benzimidazol-2-yl)propan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(6-nitro-1H-benzimidazol-2-yl)propan-1-one Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3/c24-19(22-10-9-13-3-1-2-4-14(13)12-22)8-7-18-20-16-6-5-15(23(25)26)11-17(16)21-18/h1-6,11H,7-10,12H2,(H,20,21)