ethyl 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)carbonyl]-1,4-diazepan-1-yl]quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)carbonyl]-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(3,5-dimethylisoxazole-4-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-[(3,5-dimethyl-4-isoxazolyl)-oxomethyl]-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(3,5-dimethylisoxazole-4-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)C4=C(ON=C4C)C

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)C4=C(ON=C4C)C

InChI

InChI=1S/C22H25N5O4/c1-4-30-22(29)19-20(24-17-9-6-5-8-16(17)23-19)26-10-7-11-27(13-12-26)21(28)18-14(2)25-31-15(18)3/h5-6,8-9H,4,7,10-13H2,1-3H3