[4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-(3-thienylmethyl)piperazin-1-yl]methanone CAS Name: [4-(2,5-dimethyl-1-pyrrolyl)phenyl]-[4-(3-thiophenylmethyl)-1-piperazinyl]methanone IUPAC Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Traditional Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-(3-thenyl)piperazino]methanone Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CSC=C4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CSC=C4)C

InChI

InChI=1S/C22H25N3OS/c1-17-3-4-18(2)25(17)21-7-5-20(6-8-21)22(26)24-12-10-23(11-13-24)15-19-9-14-27-16-19/h3-9,14,16H,10-13,15H2,1-2H3