1-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-3,3-diphenyl-propan-1-one

Systemtic Name: 1-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-3,3-diphenyl-propan-1-one Openeye Name: 1-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]-3,3-diphenyl-propan-1-one CAS Name: 1-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]-3,3-diphenyl-1-propanone IUPAC Name: 1-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one Traditional Name: 1-[4-(8-nitro-5-isoquinolyl)piperazino]-3,3-diphenyl-propan-1-one Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H26N4O3/c33-28(19-24(21-7-3-1-4-8-21)22-9-5-2-6-10-22)31-17-15-30(16-18-31)26-11-12-27(32(34)35)25-20-29-14-13-23(25)26/h1-14,20,24H,15-19H2