4-[2-(4-bromophenyl)-1-methyl-indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-[2-(4-bromophenyl)-1-methyl-indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-[2-(4-bromophenyl)-1-methyl-indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one CAS Name: 4-[2-(4-bromophenyl)-1-methyl-3-indolyl]-1-[4-(2-methoxyphenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-[2-(4-bromophenyl)-1-methylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-[2-(4-bromophenyl)-1-methyl-indol-3-yl]-1-[4-(2-methoxyphenyl)piperazino]butan-1-one Formula: C30H32BrN3O2 MolecularWeight: 546.49798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C3=CC=C(C=C3)Br)CCCC(=O)N4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C3=CC=C(C=C3)Br)CCCC(=O)N4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C30H32BrN3O2/c1-32-26-10-4-3-8-24(26)25(30(32)22-14-16-23(31)17-15-22)9-7-13-29(35)34-20-18-33(19-21-34)27-11-5-6-12-28(27)36-2/h3-6,8,10-12,14-17H,7,9,13,18-21H2,1-2H3