ethyl 5-bromanyl-6-[4-(phenylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-bromanyl-6-[4-(phenylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-bromo-6-[4-(phenylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[anilino(oxo)methyl]-1-piperazinyl]-5-bromo-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-6-[4-(phenylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-bromo-6-[4-(phenylcarbamoyl)piperazino]nicotinic acid ethyl ester Formula: C19H21BrN4O3 MolecularWeight: 433.29904

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN4O3/c1-2-27-18(25)14-12-16(20)17(21-13-14)23-8-10-24(11-9-23)19(26)22-15-6-4-3-5-7-15/h3-7,12-13H,2,8-11H2,1H3,(H,22,26)