[4-[2-(2,5-dimethylpyrrol-1-yl)-4-nitro-phenyl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[2-(2,5-dimethylpyrrol-1-yl)-4-nitro-phenyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[2-(2,5-dimethylpyrrol-1-yl)-4-nitro-phenyl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[2-(2,5-dimethyl-1-pyrrolyl)-4-nitrophenyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[2-(2,5-dimethylpyrrol-1-yl)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[2-(2,5-dimethylpyrrol-1-yl)-4-nitro-phenyl]piperazino]-(2-thienyl)methanone Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CS4)C

InChI

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