3-[4-[4-(3-ethoxyphenyl)piperazin-1-yl]butylamino]-5,5-dimethyl-cyclohex-2-en-1-one

Systemtic Name: 3-[4-[4-(3-ethoxyphenyl)piperazin-1-yl]butylamino]-5,5-dimethyl-cyclohex-2-en-1-one Openeye Name: 3-[4-[4-(3-ethoxyphenyl)piperazin-1-yl]butylamino]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-[4-[4-(3-ethoxyphenyl)-1-piperazinyl]butylamino]-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-[4-[4-(3-ethoxyphenyl)piperazin-1-yl]butylamino]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 5,5-dimethyl-3-[4-(4-m-phenetylpiperazino)butylamino]cyclohex-2-en-1-one Formula: C24H37N3O2 MolecularWeight: 399.56948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N2CCN(CC2)CCCCNC3=CC(=O)CC(C3)(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)N2CCN(CC2)CCCCNC3=CC(=O)CC(C3)(C)C

InChI

InChI=1S/C24H37N3O2/c1-4-29-23-9-7-8-21(17-23)27-14-12-26(13-15-27)11-6-5-10-25-20-16-22(28)19-24(2,3)18-20/h7-9,16-17,25H,4-6,10-15,18-19H2,1-3H3