ethyl 6-bromanyl-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-5-oxidanyl-1-(phenylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-5-oxidanyl-1-(phenylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-6-bromo-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-5-hydroxy-indole-3-carboxylate CAS Name: 6-bromo-2-[[4-(cyanomethyl)-1-piperazinyl]methyl]-5-hydroxy-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-6-bromo-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-5-hydroxyindole-3-carboxylate Traditional Name: 1-benzyl-6-bromo-2-[[4-(cyanomethyl)piperazino]methyl]-5-hydroxy-indole-3-carboxylic acid ethyl ester Formula: C25H27BrN4O3 MolecularWeight: 511.41088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)CC3=CC=CC=C3)CN4CCN(CC4)CC#N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)CC3=CC=CC=C3)CN4CCN(CC4)CC#N

InChI

InChI=1S/C25H27BrN4O3/c1-2-33-25(32)24-19-14-23(31)20(26)15-21(19)30(16-18-6-4-3-5-7-18)22(24)17-29-12-10-28(9-8-27)11-13-29/h3-7,14-15,31H,2,9-13,16-17H2,1H3