N-[2-(4-bromophenyl)ethyl]-4-chloranyl-1-pyrimidin-2-yl-indole-3-carboxamide

Systemtic Name: N-[2-(4-bromophenyl)ethyl]-4-chloranyl-1-pyrimidin-2-yl-indole-3-carboxamide Openeye Name: N-[2-(4-bromophenyl)ethyl]-4-chloro-1-pyrimidin-2-yl-indole-3-carboxamide CAS Name: N-[2-(4-bromophenyl)ethyl]-4-chloro-1-(2-pyrimidinyl)-3-indolecarboxamide IUPAC Name: N-[2-(4-bromophenyl)ethyl]-4-chloro-1-pyrimidin-2-ylindole-3-carboxamide Traditional Name: N-[2-(4-bromophenyl)ethyl]-4-chloro-1-(2-pyrimidyl)indole-3-carboxamide Formula: C21H16BrClN4O MolecularWeight: 455.73494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)C(=CN2C3=NC=CC=N3)C(=O)NCCC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)C(=CN2C3=NC=CC=N3)C(=O)NCCC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrClN4O/c22-15-7-5-14(6-8-15)9-12-24-20(28)16-13-27(21-25-10-2-11-26-21)18-4-1-3-17(23)19(16)18/h1-8,10-11,13H,9,12H2,(H,24,28)