2-[(3-bromanylpyridin-4-yl)-oxidanyl-methyl]-N,N-diethyl-1-(phenylmethyl)indole-3-carboxamide

Systemtic Name: 2-[(3-bromanylpyridin-4-yl)-oxidanyl-methyl]-N,N-diethyl-1-(phenylmethyl)indole-3-carboxamide Openeye Name: 1-benzyl-2-[(3-bromo-4-pyridyl)-hydroxy-methyl]-N,N-diethyl-indole-3-carboxamide CAS Name: 2-[(3-bromo-4-pyridinyl)-hydroxymethyl]-N,N-diethyl-1-(phenylmethyl)-3-indolecarboxamide IUPAC Name: 1-benzyl-2-[(3-bromopyridin-4-yl)-hydroxymethyl]-N,N-diethylindole-3-carboxamide Traditional Name: 1-benzyl-2-[(3-bromo-4-pyridyl)-hydroxy-methyl]-N,N-diethyl-indole-3-carboxamide Formula: C26H26BrN3O2 MolecularWeight: 492.40754

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)C(C4=C(C=NC=C4)Br)O

Isomeric SMILES

CCN(CC)C(=O)C1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)C(C4=C(C=NC=C4)Br)O

InChI

InChI=1S/C26H26BrN3O2/c1-3-29(4-2)26(32)23-20-12-8-9-13-22(20)30(17-18-10-6-5-7-11-18)24(23)25(31)19-14-15-28-16-21(19)27/h5-16,25,31H,3-4,17H2,1-2H3