2-(1-adamantyl)-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(1-adamantyl)-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Formula: C21H31N3OS MolecularWeight: 373.55534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC23CC4CC(C2)CC(C4)C3)CC5=NC=CS5

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC23CC4CC(C2)CC(C4)C3)CC5=NC=CS5

InChI

InChI=1S/C21H31N3OS/c25-20(14-21-11-16-8-17(12-21)10-18(9-16)13-21)24-4-1-3-23(5-6-24)15-19-22-2-7-26-19/h2,7,16-18H,1,3-6,8-15H2