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

Systemtic Name: [1-hexyl-2-methyl-5-(4-nitrophenyl)pyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [1-hexyl-2-methyl-5-(4-nitrophenyl)pyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [1-hexyl-2-methyl-5-(4-nitrophenyl)-3-pyrrolyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [1-hexyl-2-methyl-5-(4-nitrophenyl)pyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [1-hexyl-2-methyl-5-(4-nitrophenyl)pyrrol-3-yl]-(4-methylpiperazino)methanone Formula: C23H32N4O3 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(C=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C)C

Isomeric SMILES

CCCCCCN1C(=C(C=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C)C

InChI

InChI=1S/C23H32N4O3/c1-4-5-6-7-12-26-18(2)21(23(28)25-15-13-24(3)14-16-25)17-22(26)19-8-10-20(11-9-19)27(29)30/h8-11,17H,4-7,12-16H2,1-3H3