5-bromanyl-1-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]indole-3-carbaldehyde

Systemtic Name: 5-bromanyl-1-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]indole-3-carbaldehyde Openeye Name: 5-bromo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indole-3-carbaldehyde CAS Name: 5-bromo-1-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3-indolecarboxaldehyde IUPAC Name: 5-bromo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indole-3-carbaldehyde Traditional Name: 5-bromo-1-[2-keto-2-(4-phenylpiperazino)ethyl]indole-3-carbaldehyde Formula: C21H20BrN3O2 MolecularWeight: 426.3064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C=C(C4=C3C=CC(=C4)Br)C=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C=C(C4=C3C=CC(=C4)Br)C=O

InChI

InChI=1S/C21H20BrN3O2/c22-17-6-7-20-19(12-17)16(15-26)13-25(20)14-21(27)24-10-8-23(9-11-24)18-4-2-1-3-5-18/h1-7,12-13,15H,8-11,14H2