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

Systemtic Name: (4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(4,5-dimethyl-2-pyrrol-1-yl-3-thienyl)methanone CAS Name: [4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)methanone Traditional Name: (4-benzylpiperazino)-(4,5-dimethyl-2-pyrrol-1-yl-3-thienyl)methanone Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N2CCN(CC2)CC3=CC=CC=C3)N4C=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N2CCN(CC2)CC3=CC=CC=C3)N4C=CC=C4)C

InChI

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