4-[[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]carbonyl]-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-[[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]carbonyl]-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carbonyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-oxomethyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carbonyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-(2-p-anisyl-1,3-benzoxazole-6-carbonyl)-1,4-diazepane-1-carbaldehyde 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)N4CCCN(CC4)C=O

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)C(=O)N4CCCN(CC4)C=O

InChI

InChI=1S/C22H23N3O4/c1-28-18-6-3-16(4-7-18)13-21-23-19-8-5-17(14-20(19)29-21)22(27)25-10-2-9-24(15-26)11-12-25/h3-8,14-15H,2,9-13H2,1H3