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

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-1,3-benzoxazole-6-carboxamide Openeye Name: 2-[(4-methoxyphenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]-1,3-benzoxazole-6-carboxamide CAS Name: 2-[(4-methoxyphenyl)methyl]-N-[(3S)-2-oxo-3-azepanyl]-1,3-benzoxazole-6-carboxamide IUPAC Name: 2-[(4-methoxyphenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]-1,3-benzoxazole-6-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-2-p-anisyl-1,3-benzoxazole-6-carboxamide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-28-16-8-5-14(6-9-16)12-20-24-17-10-7-15(13-19(17)29-20)21(26)25-18-4-2-3-11-23-22(18)27/h5-10,13,18H,2-4,11-12H2,1H3,(H,23,27)(H,25,26)/t18-/m0/s1