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

Systemtic Name: (E)-3-(5-bromanyl-2-ethoxy-phenyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-ethoxy-phenyl)-1-(4-pyrrolidin-1-yl-1-piperidyl)prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-ethoxyphenyl)-1-[4-(1-pyrrolidinyl)-1-piperidinyl]-2-propen-1-one IUPAC Name: (E)-3-(5-bromo-2-ethoxyphenyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-ethoxy-phenyl)-1-(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=CC(=O)N2CCC(CC2)N3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C20H27BrN2O2/c1-2-25-19-7-6-17(21)15-16(19)5-8-20(24)23-13-9-18(10-14-23)22-11-3-4-12-22/h5-8,15,18H,2-4,9-14H2,1H3/b8-5+