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

Systemtic Name: ethyl 6-[4-[(3-bromophenyl)carbamoyl]piperazin-1-yl]-5-chloranyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[(3-bromophenyl)carbamoyl]piperazin-1-yl]-5-chloro-pyridine-3-carboxylate CAS Name: 6-[4-[(3-bromoanilino)-oxomethyl]-1-piperazinyl]-5-chloro-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(3-bromophenyl)carbamoyl]piperazin-1-yl]-5-chloropyridine-3-carboxylate Traditional Name: 6-[4-[(3-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=C3)Br)Cl

Isomeric SMILES

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

InChI

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