2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]propan-1-one CAS Name: 2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-[4-(8-nitro-5-isoquinolyl)piperazino]propan-1-one Formula: C27H32N6O3 MolecularWeight: 488.58138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)N3CCN(CC3)C4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)N3CCN(CC3)C4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H32N6O3/c1-21(27(34)32-13-11-29(12-14-32)20-22-5-3-2-4-6-22)30-15-17-31(18-16-30)25-7-8-26(33(35)36)24-19-28-10-9-23(24)25/h2-10,19,21H,11-18,20H2,1H3