N-[3-[5-bromanyl-3-(imidazol-1-ylmethyl)indol-1-yl]propanoyl]benzamide

Systemtic Name: N-[3-[5-bromanyl-3-(imidazol-1-ylmethyl)indol-1-yl]propanoyl]benzamide Openeye Name: N-[3-[5-bromo-3-(imidazol-1-ylmethyl)indol-1-yl]propanoyl]benzamide CAS Name: N-[3-[5-bromo-3-(1-imidazolylmethyl)-1-indolyl]-1-oxopropyl]benzamide IUPAC Name: N-[3-[5-bromo-3-(imidazol-1-ylmethyl)indol-1-yl]propanoyl]benzamide Traditional Name: N-[3-[5-bromo-3-(imidazol-1-ylmethyl)indol-1-yl]propanoyl]benzamide Formula: C22H19BrN4O2 MolecularWeight: 451.31586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=O)CCN2C=C(C3=C2C=CC(=C3)Br)CN4C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=O)CCN2C=C(C3=C2C=CC(=C3)Br)CN4C=CN=C4

InChI

InChI=1S/C22H19BrN4O2/c23-18-6-7-20-19(12-18)17(13-26-11-9-24-15-26)14-27(20)10-8-21(28)25-22(29)16-4-2-1-3-5-16/h1-7,9,11-12,14-15H,8,10,13H2,(H,25,28,29)