2-[4-[(E)-(5-nitroisoquinolin-1-yl)methylideneamino]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[(E)-(5-nitroisoquinolin-1-yl)methylideneamino]piperazin-1-yl]ethanol Openeye Name: 2-[4-[(E)-(5-nitro-1-isoquinolyl)methyleneamino]piperazin-1-yl]ethanol CAS Name: 2-[4-[(E)-(5-nitro-1-isoquinolinyl)methylideneamino]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[(E)-(5-nitroisoquinolin-1-yl)methylideneamino]piperazin-1-yl]ethanol Traditional Name: 2-[4-[(E)-(5-nitro-1-isoquinolyl)methyleneamino]piperazino]ethanol Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)N=CC2=NC=CC3=C2C=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCO)/N=C/C2=NC=CC3=C2C=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O3/c22-11-10-19-6-8-20(9-7-19)18-12-15-13-2-1-3-16(21(23)24)14(13)4-5-17-15/h1-5,12,22H,6-11H2/b18-12+