6-[2-[4-(7-bromanyl-1H-indol-4-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[4-(7-bromanyl-1H-indol-4-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[4-(7-bromo-1H-indol-4-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[4-(7-bromo-1H-indol-4-yl)-1-piperazinyl]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[4-(7-bromo-1H-indol-4-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[4-(7-bromo-1H-indol-4-yl)piperazino]ethyl]-4H-1,4-benzoxazin-3-one Formula: C22H23BrN4O2 MolecularWeight: 455.34762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC3=C(C=C2)OCC(=O)N3)C4=C5C=CNC5=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1CCC2=CC3=C(C=C2)OCC(=O)N3)C4=C5C=CNC5=C(C=C4)Br

InChI

InChI=1S/C22H23BrN4O2/c23-17-2-3-19(16-5-7-24-22(16)17)27-11-9-26(10-12-27)8-6-15-1-4-20-18(13-15)25-21(28)14-29-20/h1-5,7,13,24H,6,8-12,14H2,(H,25,28)