ethyl 5-chloranyl-6-[4-[(2-methoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-6-[4-[(2-methoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-chloro-6-[4-[(2-methoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-chloro-6-[4-[(2-methoxyanilino)-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-6-[4-[(2-methoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[4-[(2-methoxyphenyl)carbamoyl]piperazino]nicotinic acid ethyl ester Formula: C20H23ClN4O4 MolecularWeight: 418.87402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NC3=CC=CC=C3OC)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NC3=CC=CC=C3OC)Cl

InChI

InChI=1S/C20H23ClN4O4/c1-3-29-19(26)14-12-15(21)18(22-13-14)24-8-10-25(11-9-24)20(27)23-16-6-4-5-7-17(16)28-2/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,27)