2-(6-benzamido-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(6-benzamido-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(6-benzamido-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-yl]acetic acid CAS Name: 2-(6-benzamido-1H-indol-3-yl)-2-[4-(2-cyanoethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(6-benzamido-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-yl]acetic acid Traditional Name: 2-(6-benzamido-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazino]acetic acid Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C(C2=CNC3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC#N)C(C2=CNC3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H25N5O3/c25-9-4-10-28-11-13-29(14-12-28)22(24(31)32)20-16-26-21-15-18(7-8-19(20)21)27-23(30)17-5-2-1-3-6-17/h1-3,5-8,15-16,22,26H,4,10-14H2,(H,27,30)(H,31,32)