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

Systemtic Name: ethyl 5-chloranyl-6-[4-[(phenylmethyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(benzylcarbamoyl)piperazin-1-yl]-5-chloro-pyridine-3-carboxylate CAS Name: 5-chloro-6-[4-[oxo-[(phenylmethyl)amino]methyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(benzylcarbamoyl)piperazin-1-yl]-5-chloropyridine-3-carboxylate Traditional Name: 6-[4-(benzylcarbamoyl)piperazino]-5-chloro-nicotinic acid ethyl ester Formula: C20H23ClN4O3 MolecularWeight: 402.87462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NCC3=CC=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H23ClN4O3/c1-2-28-19(26)16-12-17(21)18(22-14-16)24-8-10-25(11-9-24)20(27)23-13-15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3,(H,23,27)