3-[3,5-bis(4-azanylphenoxy)phenyl]carbonylazepan-2-one

Systemtic Name: 3-[3,5-bis(4-azanylphenoxy)phenyl]carbonylazepan-2-one Openeye Name: 3-[3,5-bis(4-aminophenoxy)benzoyl]azepan-2-one CAS Name: 3-[[3,5-bis(4-aminophenoxy)phenyl]-oxomethyl]-2-azepanone IUPAC Name: 3-[3,5-bis(4-aminophenoxy)benzoyl]azepan-2-one Traditional Name: 3-[3,5-bis(4-aminophenoxy)benzoyl]azepan-2-one Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)C(=O)C2=CC(=CC(=C2)OC3=CC=C(C=C3)N)OC4=CC=C(C=C4)N

Isomeric SMILES

C1CCNC(=O)C(C1)C(=O)C2=CC(=CC(=C2)OC3=CC=C(C=C3)N)OC4=CC=C(C=C4)N

InChI

InChI=1S/C25H25N3O4/c26-17-4-8-19(9-5-17)31-21-13-16(24(29)23-3-1-2-12-28-25(23)30)14-22(15-21)32-20-10-6-18(27)7-11-20/h4-11,13-15,23H,1-3,12,26-27H2,(H,28,30)