1-(1,3-benzoxazol-2-yl)-4-(2,6-dimethoxyphenyl)carbonyl-1,4-diazepan-6-one

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-4-(2,6-dimethoxyphenyl)carbonyl-1,4-diazepan-6-one Openeye Name: 1-(1,3-benzoxazol-2-yl)-4-(2,6-dimethoxybenzoyl)-1,4-diazepan-6-one CAS Name: 1-(1,3-benzoxazol-2-yl)-4-[(2,6-dimethoxyphenyl)-oxomethyl]-1,4-diazepan-6-one IUPAC Name: 1-(1,3-benzoxazol-2-yl)-4-(2,6-dimethoxybenzoyl)-1,4-diazepan-6-one Traditional Name: 1-(1,3-benzoxazol-2-yl)-4-(2,6-dimethoxybenzoyl)-1,4-diazepan-6-one Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/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/h3-9H,10-13H2,1-2H3