(3-chloranyl-1-adamantyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-1-adamantyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone Openeye Name: (3-chloro-1-adamantyl)-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-1-yl]methanone CAS Name: (3-chloro-1-adamantyl)-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazinyl]methanone IUPAC Name: (3-chloro-1-adamantyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone Traditional Name: (3-chloro-1-adamantyl)-[4-[(2-phenylthiazol-4-yl)methyl]piperazino]methanone Formula: C25H30ClN3OS MolecularWeight: 456.0432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC(=N2)C3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)(C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CSC(=N2)C3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)(C5)Cl

InChI

InChI=1S/C25H30ClN3OS/c26-25-13-18-10-19(14-25)12-24(11-18,17-25)23(30)29-8-6-28(7-9-29)15-21-16-31-22(27-21)20-4-2-1-3-5-20/h1-5,16,18-19H,6-15,17H2