1-[(2R,6S)-2,6-dimethyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-phenyl-prop-2-yn-1-one

Systemtic Name: 1-[(2R,6S)-2,6-dimethyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-phenyl-prop-2-yn-1-one Openeye Name: 1-[(2R,6S)-2,6-dimethyl-4-thiazol-2-yl-piperazin-1-yl]-3-phenyl-prop-2-yn-1-one CAS Name: 1-[(2R,6S)-2,6-dimethyl-4-(2-thiazolyl)-1-piperazinyl]-3-phenyl-2-propyn-1-one IUPAC Name: 1-[(2R,6S)-2,6-dimethyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylprop-2-yn-1-one Traditional Name: 1-[(2R,6S)-2,6-dimethyl-4-thiazol-2-yl-piperazino]-3-phenyl-prop-2-yn-1-one Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C(=O)C#CC2=CC=CC=C2)C)C3=NC=CS3

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1C(=O)C#CC2=CC=CC=C2)C)C3=NC=CS3

InChI

InChI=1S/C18H19N3OS/c1-14-12-20(18-19-10-11-23-18)13-15(2)21(14)17(22)9-8-16-6-4-3-5-7-16/h3-7,10-11,14-15H,12-13H2,1-2H3/t14-,15+