(4-methylpiperazin-1-yl)-[5-(4-nitrophenyl)-1-octyl-pyrrol-3-yl]methanone

Systemtic Name: (4-methylpiperazin-1-yl)-[5-(4-nitrophenyl)-1-octyl-pyrrol-3-yl]methanone Openeye Name: (4-methylpiperazin-1-yl)-[5-(4-nitrophenyl)-1-octyl-pyrrol-3-yl]methanone CAS Name: (4-methyl-1-piperazinyl)-[5-(4-nitrophenyl)-1-octyl-3-pyrrolyl]methanone IUPAC Name: (4-methylpiperazin-1-yl)-[5-(4-nitrophenyl)-1-octylpyrrol-3-yl]methanone Traditional Name: (4-methylpiperazino)-[5-(4-nitrophenyl)-1-octyl-pyrrol-3-yl]methanone Formula: C24H34N4O3 MolecularWeight: 426.55176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C=C(C=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C

Isomeric SMILES

CCCCCCCCN1C=C(C=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C

InChI

InChI=1S/C24H34N4O3/c1-3-4-5-6-7-8-13-27-19-21(24(29)26-16-14-25(2)15-17-26)18-23(27)20-9-11-22(12-10-20)28(30)31/h9-12,18-19H,3-8,13-17H2,1-2H3