N-(isoquinolin-1-ylmethyl)-2-(2-methoxyethylamino)-5-nitro-benzamide

Systemtic Name: N-(isoquinolin-1-ylmethyl)-2-(2-methoxyethylamino)-5-nitro-benzamide Openeye Name: N-(1-isoquinolylmethyl)-2-(2-methoxyethylamino)-5-nitro-benzamide CAS Name: N-(1-isoquinolinylmethyl)-2-(2-methoxyethylamino)-5-nitrobenzamide IUPAC Name: N-(isoquinolin-1-ylmethyl)-2-(2-methoxyethylamino)-5-nitrobenzamide Traditional Name: N-(1-isoquinolylmethyl)-2-(2-methoxyethylamino)-5-nitro-benzamide Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=NC=CC3=CC=CC=C32

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C20H20N4O4/c1-28-11-10-22-18-7-6-15(24(26)27)12-17(18)20(25)23-13-19-16-5-3-2-4-14(16)8-9-21-19/h2-9,12,22H,10-11,13H2,1H3,(H,23,25)