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

Systemtic Name: ethyl 5-chloranyl-6-[4-(naphthalen-2-ylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-chloro-6-[4-(2-naphthylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-chloro-6-[4-[(2-naphthalenylamino)-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-6-[4-(naphthalen-2-ylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[4-(2-naphthylcarbamoyl)piperazino]nicotinic acid ethyl ester Formula: C23H23ClN4O3 MolecularWeight: 438.90672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NC3=CC4=CC=CC=C4C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NC3=CC4=CC=CC=C4C=C3)Cl

InChI

InChI=1S/C23H23ClN4O3/c1-2-31-22(29)18-14-20(24)21(25-15-18)27-9-11-28(12-10-27)23(30)26-19-8-7-16-5-3-4-6-17(16)13-19/h3-8,13-15H,2,9-12H2,1H3,(H,26,30)