[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-phenyl-methanone Openeye Name: [4-(8-nitro-5-isoquinolyl)piperazin-1-yl]-phenyl-methanone CAS Name: [4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]-phenylmethanone IUPAC Name: [4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-phenylmethanone Traditional Name: [4-(8-nitro-5-isoquinolyl)piperazino]-phenyl-methanone Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O3/c25-20(15-4-2-1-3-5-15)23-12-10-22(11-13-23)18-6-7-19(24(26)27)17-14-21-9-8-16(17)18/h1-9,14H,10-13H2