2-[(3,4-dimethoxyphenyl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-1,3-benzoxazole-6-carboxamide

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-1,3-benzoxazole-6-carboxamide Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]-1,3-benzoxazole-6-carboxamide CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-N-[(3S)-2-oxo-3-azepanyl]-1,3-benzoxazole-6-carboxamide IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]-1,3-benzoxazole-6-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-2-veratryl-1,3-benzoxazole-6-carboxamide Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)C(=O)NC4CCCCNC4=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)C(=O)N[C@H]4CCCCNC4=O)OC

InChI

InChI=1S/C23H25N3O5/c1-29-18-9-6-14(11-20(18)30-2)12-21-25-16-8-7-15(13-19(16)31-21)22(27)26-17-5-3-4-10-24-23(17)28/h6-9,11,13,17H,3-5,10,12H2,1-2H3,(H,24,28)(H,26,27)/t17-/m0/s1