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

Systemtic Name: ethyl 6-[4-[(2-bromophenyl)carbamoyl]piperazin-1-yl]-5-chloranyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[(2-bromophenyl)carbamoyl]piperazin-1-yl]-5-chloro-pyridine-3-carboxylate CAS Name: 6-[4-[(2-bromoanilino)-oxomethyl]-1-piperazinyl]-5-chloro-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(2-bromophenyl)carbamoyl]piperazin-1-yl]-5-chloropyridine-3-carboxylate Traditional Name: 6-[4-[(2-bromophenyl)carbamoyl]piperazino]-5-chloro-nicotinic acid ethyl ester Formula: C19H20BrClN4O3 MolecularWeight: 467.7441

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NC3=CC=CC=C3Br)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NC3=CC=CC=C3Br)Cl

InChI

InChI=1S/C19H20BrClN4O3/c1-2-28-18(26)13-11-15(21)17(22-12-13)24-7-9-25(10-8-24)19(27)23-16-6-4-3-5-14(16)20/h3-6,11-12H,2,7-10H2,1H3,(H,23,27)