2-[[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-yl-methyl]-5,5-dimethyl-3-phenylazanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-yl-methyl]-5,5-dimethyl-3-phenylazanyl-cyclohex-2-en-1-one Openeye Name: 3-anilino-2-[[4-(2-hydroxyethyl)piperazin-1-yl]-(2-thienyl)methyl]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-anilino-2-[[4-(2-hydroxyethyl)-1-piperazinyl]-thiophen-2-ylmethyl]-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-anilino-2-[[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethyl]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-anilino-2-[[4-(2-hydroxyethyl)piperazino]-(2-thienyl)methyl]-5,5-dimethyl-cyclohex-2-en-1-one Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(C2=CC=CS2)N3CCN(CC3)CCO)NC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(C2=CC=CS2)N3CCN(CC3)CCO)NC4=CC=CC=C4)C

InChI

InChI=1S/C25H33N3O2S/c1-25(2)17-20(26-19-7-4-3-5-8-19)23(21(30)18-25)24(22-9-6-16-31-22)28-12-10-27(11-13-28)14-15-29/h3-9,16,24,26,29H,10-15,17-18H2,1-2H3