1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3-methyl-5-nitro-imidazol-4-yl)amino]propan-2-ol

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3-methyl-5-nitro-imidazol-4-yl)amino]propan-2-ol Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3-methyl-5-nitro-imidazol-4-yl)amino]propan-2-ol CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3-methyl-5-nitro-4-imidazolyl)amino]-2-propanol IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3-methyl-5-nitroimidazol-4-yl)amino]propan-2-ol Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3-methyl-5-nitro-imidazol-4-yl)amino]propan-2-ol Formula: C16H21N5O3 MolecularWeight: 331.36964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1NCC(CN2CCC3=CC=CC=C3C2)O)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1NCC(CN2CCC3=CC=CC=C3C2)O)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O3/c1-19-11-18-16(21(23)24)15(19)17-8-14(22)10-20-7-6-12-4-2-3-5-13(12)9-20/h2-5,11,14,17,22H,6-10H2,1H3