ethyl 3-[(2,5-dimethylpyrazol-3-yl)methyl-[(3S)-2-oxidanylideneazepan-3-yl]amino]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[(2,5-dimethylpyrazol-3-yl)methyl-[(3S)-2-oxidanylideneazepan-3-yl]amino]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[(2,5-dimethylpyrazol-3-yl)methyl-[(3S)-2-oxoazepan-3-yl]amino]-3-oxo-propanoate CAS Name: 3-[(2,5-dimethyl-3-pyrazolyl)methyl-[(3S)-2-oxo-3-azepanyl]amino]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[(2,5-dimethylpyrazol-3-yl)methyl-[(3S)-2-oxoazepan-3-yl]amino]-3-oxopropanoate Traditional Name: 3-[(2,5-dimethylpyrazol-3-yl)methyl-[(3S)-2-ketoazepan-3-yl]amino]-3-keto-propionic acid ethyl ester Formula: C17H26N4O4 MolecularWeight: 350.41274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)N(CC1=CC(=NN1C)C)C2CCCCNC2=O

Isomeric SMILES

CCOC(=O)CC(=O)N(CC1=CC(=NN1C)C)[C@H]2CCCCNC2=O

InChI

InChI=1S/C17H26N4O4/c1-4-25-16(23)10-15(22)21(11-13-9-12(2)19-20(13)3)14-7-5-6-8-18-17(14)24/h9,14H,4-8,10-11H2,1-3H3,(H,18,24)/t14-/m0/s1