2-[4-(6-bromanyl-5-methoxy-2-methyl-1-phenyl-indol-3-yl)carbonylpiperazin-1-yl]ethanenitrile

Systemtic Name: 2-[4-(6-bromanyl-5-methoxy-2-methyl-1-phenyl-indol-3-yl)carbonylpiperazin-1-yl]ethanenitrile Openeye Name: 2-[4-(6-bromo-5-methoxy-2-methyl-1-phenyl-indole-3-carbonyl)piperazin-1-yl]acetonitrile CAS Name: 2-[4-[(6-bromo-5-methoxy-2-methyl-1-phenyl-3-indolyl)-oxomethyl]-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-(6-bromo-5-methoxy-2-methyl-1-phenylindole-3-carbonyl)piperazin-1-yl]acetonitrile Traditional Name: 2-[4-(6-bromo-5-methoxy-2-methyl-1-phenyl-indole-3-carbonyl)piperazino]acetonitrile Formula: C23H23BrN4O2 MolecularWeight: 467.35832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2N1C3=CC=CC=C3)Br)OC)C(=O)N4CCN(CC4)CC#N

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2N1C3=CC=CC=C3)Br)OC)C(=O)N4CCN(CC4)CC#N

InChI

InChI=1S/C23H23BrN4O2/c1-16-22(23(29)27-12-10-26(9-8-25)11-13-27)18-14-21(30-2)19(24)15-20(18)28(16)17-6-4-3-5-7-17/h3-7,14-15H,9-13H2,1-2H3