methyl 4-[(2-cyanophenyl)methyl]-1-(4-dimethylaminophenyl)carbonyl-piperazine-2-carboxylate

Systemtic Name: methyl 4-[(2-cyanophenyl)methyl]-1-(4-dimethylaminophenyl)carbonyl-piperazine-2-carboxylate Openeye Name: methyl 4-[(2-cyanophenyl)methyl]-1-[4-(dimethylamino)benzoyl]piperazine-2-carboxylate CAS Name: 4-[(2-cyanophenyl)methyl]-1-[(4-dimethylaminophenyl)-oxomethyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(2-cyanophenyl)methyl]-1-[4-(dimethylamino)benzoyl]piperazine-2-carboxylate Traditional Name: 4-(2-cyanobenzyl)-1-[4-(dimethylamino)benzoyl]piperazine-2-carboxylic acid methyl ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2C(=O)OC)CC3=CC=CC=C3C#N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2C(=O)OC)CC3=CC=CC=C3C#N

InChI

InChI=1S/C23H26N4O3/c1-25(2)20-10-8-17(9-11-20)22(28)27-13-12-26(16-21(27)23(29)30-3)15-19-7-5-4-6-18(19)14-24/h4-11,21H,12-13,15-16H2,1-3H3