N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-ethyl]-8-nitro-isoquinolin-5-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-ethyl]-8-nitro-isoquinolin-5-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]-8-nitro-isoquinolin-5-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)-2-(4-morpholinyl)ethyl]-8-nitro-5-isoquinolinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-8-nitroisoquinolin-5-amine Traditional Name: [2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]-(8-nitro-5-isoquinolyl)amine Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])N4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])N4CCOCC4)OC

InChI

InChI=1S/C23H26N4O5/c1-30-22-6-3-16(13-23(22)31-2)21(26-9-11-32-12-10-26)15-25-19-4-5-20(27(28)29)18-14-24-8-7-17(18)19/h3-8,13-14,21,25H,9-12,15H2,1-2H3