ethyl 3-[4-(2-chloranylpyridin-3-yl)carbonylpiperazin-1-yl]-6,7-dimethyl-quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-[4-(2-chloranylpyridin-3-yl)carbonylpiperazin-1-yl]-6,7-dimethyl-quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-6,7-dimethyl-quinoxaline-2-carboxylate CAS Name: 3-[4-[(2-chloro-3-pyridinyl)-oxomethyl]-1-piperazinyl]-6,7-dimethyl-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate Traditional Name: 3-[4-(2-chloronicotinoyl)piperazino]-6,7-dimethyl-quinoxaline-2-carboxylic acid ethyl ester Formula: C23H24ClN5O3 MolecularWeight: 453.92136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C(C=C(C(=C2)C)C)N=C1N3CCN(CC3)C(=O)C4=C(N=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=NC2=C(C=C(C(=C2)C)C)N=C1N3CCN(CC3)C(=O)C4=C(N=CC=C4)Cl

InChI

InChI=1S/C23H24ClN5O3/c1-4-32-23(31)19-21(27-18-13-15(3)14(2)12-17(18)26-19)28-8-10-29(11-9-28)22(30)16-6-5-7-25-20(16)24/h5-7,12-13H,4,8-11H2,1-3H3