N-cyano-4-[2-(1H-indol-3-yl)ethanoyl]-N'-(2-methylphenyl)-3-phenyl-piperazine-1-carboximidamide

Systemtic Name: N-cyano-4-[2-(1H-indol-3-yl)ethanoyl]-N'-(2-methylphenyl)-3-phenyl-piperazine-1-carboximidamide Openeye Name: N-cyano-4-[2-(1H-indol-3-yl)acetyl]-N'-(o-tolyl)-3-phenyl-piperazine-1-carboxamidine CAS Name: N-cyano-4-[2-(1H-indol-3-yl)-1-oxoethyl]-N'-(2-methylphenyl)-3-phenyl-1-piperazinecarboximidamide IUPAC Name: N-cyano-4-[2-(1H-indol-3-yl)acetyl]-N'-(2-methylphenyl)-3-phenylpiperazine-1-carboximidamide Traditional Name: N-cyano-4-[2-(1H-indol-3-yl)acetyl]-N'-(o-tolyl)-3-phenyl-piperazine-1-carboxamidine Formula: C29H28N6O MolecularWeight: 476.57222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CC4=CNC5=CC=CC=C54

Isomeric SMILES

CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C29H28N6O/c1-21-9-5-7-13-25(21)33-29(32-20-30)34-15-16-35(27(19-34)22-10-3-2-4-11-22)28(36)17-23-18-31-26-14-8-6-12-24(23)26/h2-14,18,27,31H,15-17,19H2,1H3,(H,32,33)