N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide

Systemtic Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide Openeye Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-oxoazepan-3-yl]-5-phenyl-oxazole-4-carboxamide CAS Name: N-[(2,5-dimethyl-3-pyrazolyl)methyl]-N-[(3S)-2-oxo-3-azepanyl]-5-phenyl-4-oxazolecarboxamide IUPAC Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-oxoazepan-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide Traditional Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-ketoazepan-3-yl]-5-phenyl-oxazole-4-carboxamide Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)CN(C2CCCCNC2=O)C(=O)C3=C(OC=N3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C(=C1)CN([C@H]2CCCCNC2=O)C(=O)C3=C(OC=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H25N5O3/c1-15-12-17(26(2)25-15)13-27(18-10-6-7-11-23-21(18)28)22(29)19-20(30-14-24-19)16-8-4-3-5-9-16/h3-5,8-9,12,14,18H,6-7,10-11,13H2,1-2H3,(H,23,28)/t18-/m0/s1