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

Systemtic Name: ethyl 6-bromanyl-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-oxidanyl-1-(phenylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-6-bromo-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-2-methyl-4-[(4-methyl-1-piperazinyl)methyl]-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-6-bromo-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]indole-3-carboxylate Traditional Name: 1-benzyl-6-bromo-5-hydroxy-2-methyl-4-[(4-methylpiperazino)methyl]indole-3-carboxylic acid ethyl ester Formula: C25H30BrN3O3 MolecularWeight: 500.428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCN(CC3)C)O)Br)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCN(CC3)C)O)Br)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H30BrN3O3/c1-4-32-25(31)22-17(2)29(15-18-8-6-5-7-9-18)21-14-20(26)24(30)19(23(21)22)16-28-12-10-27(3)11-13-28/h5-9,14,30H,4,10-13,15-16H2,1-3H3