ethyl 6-bromanyl-2-[[4-(3-cyano-3,3-diphenyl-propyl)piperazin-1-yl]methyl]-5-methoxy-1-methyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-[[4-(3-cyano-3,3-diphenyl-propyl)piperazin-1-yl]methyl]-5-methoxy-1-methyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-[[4-(3-cyano-3,3-diphenyl-propyl)piperazin-1-yl]methyl]-5-methoxy-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-2-[[4-(3-cyano-3,3-diphenylpropyl)-1-piperazinyl]methyl]-5-methoxy-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[[4-(3-cyano-3,3-diphenylpropyl)piperazin-1-yl]methyl]-5-methoxy-1-methylindole-3-carboxylate Traditional Name: 6-bromo-2-[[4-(3-cyano-3,3-diphenyl-propyl)piperazino]methyl]-5-methoxy-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C34H37BrN4O3 MolecularWeight: 629.58658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CN3CCN(CC3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CN3CCN(CC3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H37BrN4O3/c1-4-42-33(40)32-27-21-31(41-3)28(35)22-29(27)37(2)30(32)23-39-19-17-38(18-20-39)16-15-34(24-36,25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-14,21-22H,4,15-20,23H2,1-3H3