(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (4,5-dimethyl-2-pyrrol-1-yl-3-thienyl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone CAS Name: [4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenyl]-[4-(2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (4,5-dimethyl-2-pyrrol-1-yl-3-thienyl)-[4-(2-nitrophenyl)piperazino]methanone Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])N4C=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])N4C=CC=C4)C

InChI

InChI=1S/C21H22N4O3S/c1-15-16(2)29-21(24-9-5-6-10-24)19(15)20(26)23-13-11-22(12-14-23)17-7-3-4-8-18(17)25(27)28/h3-10H,11-14H2,1-2H3