3-[(4-chlorophenyl)carbonylamino]-4-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid

Systemtic Name: 3-[(4-chlorophenyl)carbonylamino]-4-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Openeye Name: 3-[(4-chlorobenzoyl)amino]-4-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid CAS Name: 3-[[(4-chlorophenyl)-oxomethyl]amino]-4-[4-(2-cyanoethyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[(4-chlorobenzoyl)amino]-4-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Traditional Name: 3-[(4-chlorobenzoyl)amino]-4-[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)C(=O)O)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O3/c22-17-5-2-15(3-6-17)20(27)24-18-14-16(21(28)29)4-7-19(18)26-12-10-25(11-13-26)9-1-8-23/h2-7,14H,1,9-13H2,(H,24,27)(H,28,29)