3-[(4-phenoxyphenyl)amino]azepan-2-one

Systemtic Name: 3-[(4-phenoxyphenyl)amino]azepan-2-one Openeye Name: 3-(4-phenoxyanilino)azepan-2-one CAS Name: 3-(4-phenoxyanilino)-2-azepanone IUPAC Name: 3-(4-phenoxyanilino)azepan-2-one Traditional Name: 3-(4-phenoxyanilino)azepan-2-one Formula: C18H20N2O2 MolecularWeight: 296.3636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)C(C1)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O2/c21-18-17(8-4-5-13-19-18)20-14-9-11-16(12-10-14)22-15-6-2-1-3-7-15/h1-3,6-7,9-12,17,20H,4-5,8,13H2,(H,19,21)