2-methyl-1-[4-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]piperazin-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[4-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]piperazin-1-yl]propan-1-one Openeye Name: 2-methyl-1-[4-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)piperazin-1-yl]propan-1-one CAS Name: 2-methyl-1-[4-[oxo-[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-methyl-1-[4-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperazin-1-yl]propan-1-one Traditional Name: 2-methyl-1-[4-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)piperazino]propan-1-one Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)C2=C(SC3=C2CCCC3)N4C=CC=C4

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C2=C(SC3=C2CCCC3)N4C=CC=C4

InChI

InChI=1S/C21H27N3O2S/c1-15(2)19(25)22-11-13-23(14-12-22)20(26)18-16-7-3-4-8-17(16)27-21(18)24-9-5-6-10-24/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3