1-[6-bromanyl-2-methyl-1-(4-methylphenyl)-5-oxidanyl-4-(pyrrolidin-1-ylmethyl)indol-3-yl]ethanone

Systemtic Name: 1-[6-bromanyl-2-methyl-1-(4-methylphenyl)-5-oxidanyl-4-(pyrrolidin-1-ylmethyl)indol-3-yl]ethanone Openeye Name: 1-[6-bromo-5-hydroxy-2-methyl-1-(p-tolyl)-4-(pyrrolidin-1-ylmethyl)indol-3-yl]ethanone CAS Name: 1-[6-bromo-5-hydroxy-2-methyl-1-(4-methylphenyl)-4-(1-pyrrolidinylmethyl)-3-indolyl]ethanone IUPAC Name: 1-[6-bromo-5-hydroxy-2-methyl-1-(4-methylphenyl)-4-(pyrrolidin-1-ylmethyl)indol-3-yl]ethanone Traditional Name: 1-[6-bromo-5-hydroxy-2-methyl-1-(p-tolyl)-4-(pyrrolidinomethyl)indol-3-yl]ethanone Formula: C23H25BrN2O2 MolecularWeight: 441.3608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C3=C(C(=C(C=C32)Br)O)CN4CCCC4)C(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C3=C(C(=C(C=C32)Br)O)CN4CCCC4)C(=O)C)C

InChI

InChI=1S/C23H25BrN2O2/c1-14-6-8-17(9-7-14)26-15(2)21(16(3)27)22-18(13-25-10-4-5-11-25)23(28)19(24)12-20(22)26/h6-9,12,28H,4-5,10-11,13H2,1-3H3