(E)-1-[5-bromanyl-1-(phenylmethyl)indol-3-yl]-3-pyrrolidin-1-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[5-bromanyl-1-(phenylmethyl)indol-3-yl]-3-pyrrolidin-1-yl-prop-2-en-1-one Openeye Name: (E)-1-(1-benzyl-5-bromo-indol-3-yl)-3-pyrrolidin-1-yl-prop-2-en-1-one CAS Name: (E)-1-[5-bromo-1-(phenylmethyl)-3-indolyl]-3-(1-pyrrolidinyl)-2-propen-1-one IUPAC Name: (E)-1-(1-benzyl-5-bromoindol-3-yl)-3-pyrrolidin-1-ylprop-2-en-1-one Traditional Name: (E)-1-(1-benzyl-5-bromo-indol-3-yl)-3-pyrrolidino-prop-2-en-1-one Formula: C22H21BrN2O MolecularWeight: 409.31894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C=CC(=O)C2=CN(C3=C2C=C(C=C3)Br)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)/C=C/C(=O)C2=CN(C3=C2C=C(C=C3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C22H21BrN2O/c23-18-8-9-21-19(14-18)20(22(26)10-13-24-11-4-5-12-24)16-25(21)15-17-6-2-1-3-7-17/h1-3,6-10,13-14,16H,4-5,11-12,15H2/b13-10+