N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-imidazol-1-yl-3-nitro-benzamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-imidazol-1-yl-3-nitro-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-imidazol-1-yl-3-nitro-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-(1-imidazolyl)-3-nitrobenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-imidazol-1-yl-3-nitro-benzamide Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC(=C(C=C1)N2C=CN=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC(CNC(=O)C1=CC(=C(C=C1)N2C=CN=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H25N5O3/c1-2-20(26-11-9-17-5-3-4-6-19(17)15-26)14-25-23(29)18-7-8-21(22(13-18)28(30)31)27-12-10-24-16-27/h3-8,10,12-13,16,20H,2,9,11,14-15H2,1H3,(H,25,29)