4-[4-[4-(5-chloranyl-1H-indol-3-yl)piperidin-1-yl]butyl]-4H-1,2-benzoxazin-3-one

Systemtic Name: 4-[4-[4-(5-chloranyl-1H-indol-3-yl)piperidin-1-yl]butyl]-4H-1,2-benzoxazin-3-one Openeye Name: 4-[4-[4-(5-chloro-1H-indol-3-yl)-1-piperidyl]butyl]-4H-1,2-benzoxazin-3-one CAS Name: 4-[4-[4-(5-chloro-1H-indol-3-yl)-1-piperidinyl]butyl]-4H-1,2-benzoxazin-3-one IUPAC Name: 4-[4-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]butyl]-4H-1,2-benzoxazin-3-one Traditional Name: 4-[4-[4-(5-chloro-1H-indol-3-yl)piperidino]butyl]-4H-1,2-benzoxazin-3-one Formula: C25H28ClN3O2 MolecularWeight: 437.96172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CNC3=C2C=C(C=C3)Cl)CCCCC4C5=CC=CC=C5ONC4=O

Isomeric SMILES

C1CN(CCC1C2=CNC3=C2C=C(C=C3)Cl)CCCCC4C5=CC=CC=C5ONC4=O

InChI

InChI=1S/C25H28ClN3O2/c26-18-8-9-23-21(15-18)22(16-27-23)17-10-13-29(14-11-17)12-4-3-6-20-19-5-1-2-7-24(19)31-28-25(20)30/h1-2,5,7-9,15-17,20,27H,3-4,6,10-14H2,(H,28,30)