3-[(3-propan-2-ylphenyl)amino]azepan-2-one

Systemtic Name: 3-[(3-propan-2-ylphenyl)amino]azepan-2-one Openeye Name: 3-(3-isopropylanilino)azepan-2-one CAS Name: 3-(3-propan-2-ylanilino)-2-azepanone IUPAC Name: 3-(3-propan-2-ylanilino)azepan-2-one Traditional Name: 3-(3-isopropylanilino)azepan-2-one Formula: C15H22N2O MolecularWeight: 246.34798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)NC2CCCCNC2=O

Isomeric SMILES

CC(C)C1=CC(=CC=C1)NC2CCCCNC2=O

InChI

InChI=1S/C15H22N2O/c1-11(2)12-6-5-7-13(10-12)17-14-8-3-4-9-16-15(14)18/h5-7,10-11,14,17H,3-4,8-9H2,1-2H3,(H,16,18)