(E)-3-(3-bromophenyl)-1-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-bromophenyl)-1-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-bromophenyl)-1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-piperidyl]prop-2-en-1-one CAS Name: (E)-3-(3-bromophenyl)-1-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-bromophenyl)-1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-bromophenyl)-1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidino]prop-2-en-1-one Formula: C24H25BrN2O2 MolecularWeight: 453.3715

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C(=O)C=CC4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C(=O)/C=C/C4=CC(=CC=C4)Br

InChI

InChI=1S/C24H25BrN2O2/c25-22-7-3-4-18(16-22)8-9-23(28)26-13-11-20(12-14-26)24(29)27-15-10-19-5-1-2-6-21(19)17-27/h1-9,16,20H,10-15,17H2/b9-8+