[4-(1,3-benzoxazol-2-yl)-6-oxidanyl-1,4-diazepan-1-yl]-(2,6-dimethoxyphenyl)methanone

Systemtic Name: [4-(1,3-benzoxazol-2-yl)-6-oxidanyl-1,4-diazepan-1-yl]-(2,6-dimethoxyphenyl)methanone Openeye Name: [4-(1,3-benzoxazol-2-yl)-6-hydroxy-1,4-diazepan-1-yl]-(2,6-dimethoxyphenyl)methanone CAS Name: [4-(1,3-benzoxazol-2-yl)-6-hydroxy-1,4-diazepan-1-yl]-(2,6-dimethoxyphenyl)methanone IUPAC Name: [4-(1,3-benzoxazol-2-yl)-6-hydroxy-1,4-diazepan-1-yl]-(2,6-dimethoxyphenyl)methanone Traditional Name: [4-(1,3-benzoxazol-2-yl)-6-hydroxy-1,4-diazepan-1-yl]-(2,6-dimethoxyphenyl)methanone Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)N2CCN(CC(C2)O)C3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)N2CCN(CC(C2)O)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H23N3O5/c1-27-17-8-5-9-18(28-2)19(17)20(26)23-10-11-24(13-14(25)12-23)21-22-15-6-3-4-7-16(15)29-21/h3-9,14,25H,10-13H2,1-2H3