4-(4-tert-butylphenoxy)-1-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-tert-butylphenoxy)-1-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-(4-tert-butylphenoxy)-1-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]butan-1-one CAS Name: 4-(4-tert-butylphenoxy)-1-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-tert-butylphenoxy)-1-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-(4-tert-butylphenoxy)-1-[4-(8-nitro-5-isoquinolyl)piperazino]butan-1-one Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H32N4O4/c1-27(2,3)20-6-8-21(9-7-20)35-18-4-5-26(32)30-16-14-29(15-17-30)24-10-11-25(31(33)34)23-19-28-13-12-22(23)24/h6-13,19H,4-5,14-18H2,1-3H3