(E)-1-(5-bromanyl-2-ethoxy-phenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(5-bromanyl-2-ethoxy-phenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one Openeye Name: (E)-1-(5-bromo-2-ethoxy-phenyl)-3-(4-pyrrolidin-1-yl-1-piperidyl)prop-2-en-1-one CAS Name: (E)-1-(5-bromo-2-ethoxyphenyl)-3-[4-(1-pyrrolidinyl)-1-piperidinyl]-2-propen-1-one IUPAC Name: (E)-1-(5-bromo-2-ethoxyphenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one Traditional Name: (E)-1-(5-bromo-2-ethoxy-phenyl)-3-(4-pyrrolidinopiperidino)prop-2-en-1-one Formula: C20H27BrN2O2 MolecularWeight: 407.34458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)C=CN2CCC(CC2)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)/C=C/N2CCC(CC2)N3CCCC3

InChI

InChI=1S/C20H27BrN2O2/c1-2-25-20-6-5-16(21)15-18(20)19(24)9-14-22-12-7-17(8-13-22)23-10-3-4-11-23/h5-6,9,14-15,17H,2-4,7-8,10-13H2,1H3/b14-9+