3-bromanyl-N-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-bromo-N-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]benzamide CAS Name: 3-bromo-N-[2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-2-oxoethyl]benzamide IUPAC Name: 3-bromo-N-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide Traditional Name: 3-bromo-N-[2-[4-(4-cyanobenzyl)piperazino]-2-keto-ethyl]benzamide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CNC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CNC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H21BrN4O2/c22-19-3-1-2-18(12-19)21(28)24-14-20(27)26-10-8-25(9-11-26)15-17-6-4-16(13-23)5-7-17/h1-7,12H,8-11,14-15H2,(H,24,28)