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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CCCC(NC2=CC(=O)CC(C2)(C)C)N3CCNCC3

Isomeric SMILES

CCOC1=CC=CC(=C1)CCCC(NC2=CC(=O)CC(C2)(C)C)N3CCNCC3

InChI

InChI=1S/C24H37N3O2/c1-4-29-22-9-5-7-19(15-22)8-6-10-23(27-13-11-25-12-14-27)26-20-16-21(28)18-24(2,3)17-20/h5,7,9,15-16,23,25-26H,4,6,8,10-14,17-18H2,1-3H3