1-(2-bromophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(2-bromophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(2-bromophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]triazole-4-carboxamide CAS Name: 1-(2-bromophenyl)-N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-4-triazolecarboxamide IUPAC Name: 1-(2-bromophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]triazole-4-carboxamide Traditional Name: 1-(2-bromophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]triazole-4-carboxamide Formula: C22H24BrN5O2 MolecularWeight: 470.36226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2=CN(N=N2)C3=CC=CC=C3Br)N4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C(CNC(=O)C2=CN(N=N2)C3=CC=CC=C3Br)N4CCCC4

InChI

InChI=1S/C22H24BrN5O2/c1-30-17-8-6-7-16(13-17)21(27-11-4-5-12-27)14-24-22(29)19-15-28(26-25-19)20-10-3-2-9-18(20)23/h2-3,6-10,13,15,21H,4-5,11-12,14H2,1H3,(H,24,29)