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

Systemtic Name: 4-[[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]carbonyl]-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[2-(3-methoxyphenyl)-1,3-benzoxazole-6-carbonyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]-oxomethyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[2-(3-methoxyphenyl)-1,3-benzoxazole-6-carbonyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[2-(3-methoxyphenyl)-1,3-benzoxazole-6-carbonyl]-1,4-diazepane-1-carbaldehyde Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=C(O2)C=C(C=C3)C(=O)N4CCCN(CC4)C=O

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=C(O2)C=C(C=C3)C(=O)N4CCCN(CC4)C=O

InChI

InChI=1S/C21H21N3O4/c1-27-17-5-2-4-15(12-17)20-22-18-7-6-16(13-19(18)28-20)21(26)24-9-3-8-23(14-25)10-11-24/h2,4-7,12-14H,3,8-11H2,1H3