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

Systemtic Name: [2-methyl-5-(4-nitrophenyl)-1-octyl-pyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [2-methyl-5-(4-nitrophenyl)-1-octyl-pyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [2-methyl-5-(4-nitrophenyl)-1-octyl-3-pyrrolyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [2-methyl-5-(4-nitrophenyl)-1-octylpyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [2-methyl-5-(4-nitrophenyl)-1-octyl-pyrrol-3-yl]-(4-methylpiperazino)methanone Formula: C25H36N4O3 MolecularWeight: 440.57834

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4O3/c1-4-5-6-7-8-9-14-28-20(2)23(25(30)27-17-15-26(3)16-18-27)19-24(28)21-10-12-22(13-11-21)29(31)32/h10-13,19H,4-9,14-18H2,1-3H3