(E)-1-(4-tert-butylphenyl)-3-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-tert-butylphenyl)-3-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-tert-butylphenyl)-3-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one CAS Name: (E)-1-(4-tert-butylphenyl)-3-[2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]-2-propen-1-one IUPAC Name: (E)-1-(4-tert-butylphenyl)-3-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one Traditional Name: (E)-1-(4-tert-butylphenyl)-3-[2-(pyrrolidinomethyl)pyrrolidino]prop-2-en-1-one Formula: C22H32N2O MolecularWeight: 340.50228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C=CN2CCCC2CN3CCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)/C=C/N2CCCC2CN3CCCC3

InChI

InChI=1S/C22H32N2O/c1-22(2,3)19-10-8-18(9-11-19)21(25)12-16-24-15-6-7-20(24)17-23-13-4-5-14-23/h8-12,16,20H,4-7,13-15,17H2,1-3H3/b16-12+