ethyl 6-[4-[1-[(3-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[1-[(3-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[2-(3-bromoanilino)-1-methyl-2-oxo-ethyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[1-(3-bromoanilino)-1-oxopropan-2-yl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[1-(3-bromoanilino)-1-oxopropan-2-yl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[2-(3-bromoanilino)-2-keto-1-methyl-ethyl]piperazino]nicotinic acid ethyl ester Formula: C21H25BrN4O3 MolecularWeight: 461.3522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN4O3/c1-3-29-21(28)16-7-8-19(23-14-16)26-11-9-25(10-12-26)15(2)20(27)24-18-6-4-5-17(22)13-18/h4-8,13-15H,3,9-12H2,1-2H3,(H,24,27)