1-[4-(1-adamantylcarbonyl)piperazin-1-yl]-3-thiophen-3-yl-propan-1-one

Systemtic Name: 1-[4-(1-adamantylcarbonyl)piperazin-1-yl]-3-thiophen-3-yl-propan-1-one Openeye Name: 1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-3-(3-thienyl)propan-1-one CAS Name: 1-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-3-(3-thiophenyl)-1-propanone IUPAC Name: 1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one Traditional Name: 1-[4-(adamantane-1-carbonyl)piperazino]-3-(3-thienyl)propan-1-one Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=CSC=C2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=CSC=C2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H30N2O2S/c25-20(2-1-16-3-8-27-15-16)23-4-6-24(7-5-23)21(26)22-12-17-9-18(13-22)11-19(10-17)14-22/h3,8,15,17-19H,1-2,4-7,9-14H2