2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxidanylidene-butanenitrile Openeye Name: 2-[4-(1-adamantyl)thiazol-2-yl]-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-butanenitrile CAS Name: 2-[4-(1-adamantyl)-2-thiazolyl]-4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-oxobutanenitrile IUPAC Name: 2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxobutanenitrile Traditional Name: 2-[4-(1-adamantyl)thiazol-2-yl]-3-keto-4-[4-(2-methoxyphenyl)piperazino]butyronitrile Formula: C28H34N4O2S MolecularWeight: 490.66016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC(=O)C(C#N)C3=NC(=CS3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CC(=O)C(C#N)C3=NC(=CS3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H34N4O2S/c1-34-25-5-3-2-4-23(25)32-8-6-31(7-9-32)17-24(33)22(16-29)27-30-26(18-35-27)28-13-19-10-20(14-28)12-21(11-19)15-28/h2-5,18-22H,6-15,17H2,1H3