methyl 1-(4-dimethylaminophenyl)carbonyl-4-(pyridin-2-ylmethyl)piperazine-2-carboxylate

Systemtic Name: methyl 1-(4-dimethylaminophenyl)carbonyl-4-(pyridin-2-ylmethyl)piperazine-2-carboxylate Openeye Name: methyl 1-[4-(dimethylamino)benzoyl]-4-(2-pyridylmethyl)piperazine-2-carboxylate CAS Name: 1-[(4-dimethylaminophenyl)-oxomethyl]-4-(2-pyridinylmethyl)-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(dimethylamino)benzoyl]-4-(pyridin-2-ylmethyl)piperazine-2-carboxylate Traditional Name: 1-[4-(dimethylamino)benzoyl]-4-(2-pyridylmethyl)piperazine-2-carboxylic acid methyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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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=N3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2C(=O)OC)CC3=CC=CC=N3

InChI

InChI=1S/C21H26N4O3/c1-23(2)18-9-7-16(8-10-18)20(26)25-13-12-24(15-19(25)21(27)28-3)14-17-6-4-5-11-22-17/h4-11,19H,12-15H2,1-3H3