5-[(2-chlorophenyl)carbonylamino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid

Systemtic Name: 5-[(2-chlorophenyl)carbonylamino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Openeye Name: 5-[(2-chlorobenzoyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid CAS Name: 5-[[(2-chlorophenyl)-oxomethyl]amino]-2-[4-(2-cyanoethyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-[(2-chlorobenzoyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Traditional Name: 5-[(2-chlorobenzoyl)amino]-2-[4-(2-cyanoethyl)piperazino]benzoic acid Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC#N)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3Cl)C(=O)O

InChI

InChI=1S/C21H21ClN4O3/c22-18-5-2-1-4-16(18)20(27)24-15-6-7-19(17(14-15)21(28)29)26-12-10-25(11-13-26)9-3-8-23/h1-2,4-7,14H,3,9-13H2,(H,24,27)(H,28,29)