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

Systemtic Name: ethyl 3-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-6,7-dimethyl-quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(4-cyanobenzoyl)piperazin-1-yl]-6,7-dimethyl-quinoxaline-2-carboxylate CAS Name: 3-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]-6,7-dimethyl-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-cyanobenzoyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate Traditional Name: 3-[4-(4-cyanobenzoyl)piperazino]-6,7-dimethyl-quinoxaline-2-carboxylic acid ethyl ester Formula: C25H25N5O3 MolecularWeight: 443.4977

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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=CC=C(C=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O3/c1-4-33-25(32)22-23(28-21-14-17(3)16(2)13-20(21)27-22)29-9-11-30(12-10-29)24(31)19-7-5-18(15-26)6-8-19/h5-8,13-14H,4,9-12H2,1-3H3