ethyl 3-[4-(3,4-dimethylphenyl)carbonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-[4-(3,4-dimethylphenyl)carbonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(3,4-dimethylbenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-[(3,4-dimethylphenyl)-oxomethyl]-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(3,4-dimethylbenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(3,4-dimethylbenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C25H28N4O3/c1-4-32-25(31)22-23(27-21-9-6-5-8-20(21)26-22)28-12-7-13-29(15-14-28)24(30)19-11-10-17(2)18(3)16-19/h5-6,8-11,16H,4,7,12-15H2,1-3H3