6-[2-[4-(5-chloranyl-1H-indol-4-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[4-(5-chloranyl-1H-indol-4-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[4-(5-chloro-1H-indol-4-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[4-(5-chloro-1H-indol-4-yl)-1-piperazinyl]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[4-(5-chloro-1H-indol-4-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[4-(5-chloro-1H-indol-4-yl)piperazino]ethyl]-4H-1,4-benzoxazin-3-one Formula: C22H23ClN4O2 MolecularWeight: 410.89662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC3=C(C=C2)OCC(=O)N3)C4=C(C=CC5=C4C=CN5)Cl

Isomeric SMILES

C1CN(CCN1CCC2=CC3=C(C=C2)OCC(=O)N3)C4=C(C=CC5=C4C=CN5)Cl

InChI

InChI=1S/C22H23ClN4O2/c23-17-2-3-18-16(5-7-24-18)22(17)27-11-9-26(10-12-27)8-6-15-1-4-20-19(13-15)25-21(28)14-29-20/h1-5,7,13,24H,6,8-12,14H2,(H,25,28)