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

Systemtic Name: 2-(1-adamantyl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-(3-thenyl)-1,4-diazepan-1-yl]ethanone Formula: C22H32N2OS MolecularWeight: 372.56728

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC23CC4CC(C2)CC(C4)C3)CC5=CSC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC23CC4CC(C2)CC(C4)C3)CC5=CSC=C5

InChI

InChI=1S/C22H32N2OS/c25-21(14-22-11-18-8-19(12-22)10-20(9-18)13-22)24-4-1-3-23(5-6-24)15-17-2-7-26-16-17/h2,7,16,18-20H,1,3-6,8-15H2