2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]phenol

Systemtic Name: 2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]phenol Openeye Name: 2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]phenol CAS Name: 2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]phenol IUPAC Name: 2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]phenol Traditional Name: 2-[4-(8-nitro-5-isoquinolyl)piperazino]phenol Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C4=CC=CC=C4O

Isomeric SMILES

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C4=CC=CC=C4O

InChI

InChI=1S/C19H18N4O3/c24-19-4-2-1-3-18(19)22-11-9-21(10-12-22)16-5-6-17(23(25)26)15-13-20-8-7-14(15)16/h1-8,13,24H,9-12H2