(phenylmethyl) 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]-4-(2-methylpyridin-4-yl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]-4-(2-methylpyridin-4-yl)piperazine-1-carboxylate Openeye Name: benzyl 2-[2-(dimethylamino)-2-oxo-ethyl]-4-(2-methyl-4-pyridyl)piperazine-1-carboxylate CAS Name: 2-[2-(dimethylamino)-2-oxoethyl]-4-(2-methyl-4-pyridinyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(dimethylamino)-2-oxoethyl]-4-(2-methylpyridin-4-yl)piperazine-1-carboxylate Traditional Name: 2-[2-(dimethylamino)-2-keto-ethyl]-4-(2-methyl-4-pyridyl)piperazine-1-carboxylic acid benzyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)N2CCN(C(C2)CC(=O)N(C)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=NC=CC(=C1)N2CCN(C(C2)CC(=O)N(C)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3/c1-17-13-19(9-10-23-17)25-11-12-26(20(15-25)14-21(27)24(2)3)22(28)29-16-18-7-5-4-6-8-18/h4-10,13,20H,11-12,14-16H2,1-3H3