2-[4-[4-(imidazol-1-ylmethyl)phenyl]carbonylpiperazin-1-yl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[4-[4-(imidazol-1-ylmethyl)phenyl]carbonylpiperazin-1-yl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-1-(2-thienyl)ethanone CAS Name: 2-[4-[[4-(1-imidazolylmethyl)phenyl]-oxomethyl]-1-piperazinyl]-1-thiophen-2-ylethanone IUPAC Name: 2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-1-thiophen-2-ylethanone Traditional Name: 2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazino]-1-(2-thienyl)ethanone Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C2=CC=CS2)C(=O)C3=CC=C(C=C3)CN4C=CN=C4

Isomeric SMILES

C1CN(CCN1CC(=O)C2=CC=CS2)C(=O)C3=CC=C(C=C3)CN4C=CN=C4

InChI

InChI=1S/C21H22N4O2S/c26-19(20-2-1-13-28-20)15-23-9-11-25(12-10-23)21(27)18-5-3-17(4-6-18)14-24-8-7-22-16-24/h1-8,13,16H,9-12,14-15H2