[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 5-chloranyl-2-piperidin-1-yl-pyrimidine-4-carboxylate

Systemtic Name: [2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 5-chloranyl-2-piperidin-1-yl-pyrimidine-4-carboxylate Openeye Name: [2-(1-naphthylamino)-2-oxo-ethyl] 5-chloro-2-(1-piperidyl)pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(1-piperidinyl)-4-pyrimidinecarboxylic acid [2-(1-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-piperidin-1-ylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-piperidino-pyrimidine-4-carboxylic acid [2-keto-2-(1-naphthylamino)ethyl] ester Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=C(C(=N2)C(=O)OCC(=O)NC3=CC=CC4=CC=CC=C43)Cl

Isomeric SMILES

C1CCN(CC1)C2=NC=C(C(=N2)C(=O)OCC(=O)NC3=CC=CC4=CC=CC=C43)Cl

InChI

InChI=1S/C22H21ClN4O3/c23-17-13-24-22(27-11-4-1-5-12-27)26-20(17)21(29)30-14-19(28)25-18-10-6-8-15-7-2-3-9-16(15)18/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,25,28)