8-nitro-N-(3-phenylmethoxypropyl)isoquinolin-5-amine

Systemtic Name: 8-nitro-N-(3-phenylmethoxypropyl)isoquinolin-5-amine Openeye Name: N-(3-benzyloxypropyl)-8-nitro-isoquinolin-5-amine CAS Name: 8-nitro-N-(3-phenylmethoxypropyl)-5-isoquinolinamine IUPAC Name: 8-nitro-N-(3-phenylmethoxypropyl)isoquinolin-5-amine Traditional Name: 3-benzoxypropyl-(8-nitro-5-isoquinolyl)amine Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COCCCNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O3/c23-22(24)19-8-7-18(16-9-11-20-13-17(16)19)21-10-4-12-25-14-15-5-2-1-3-6-15/h1-3,5-9,11,13,21H,4,10,12,14H2