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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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