5-(3-methoxyphenyl)-6-(2-oxidanylidenepropyl)-1,2,3,4-tetrahydroazepin-7-one

Systemtic Name: 5-(3-methoxyphenyl)-6-(2-oxidanylidenepropyl)-1,2,3,4-tetrahydroazepin-7-one Openeye Name: 6-acetonyl-5-(3-methoxyphenyl)-1,2,3,4-tetrahydroazepin-7-one CAS Name: 5-(3-methoxyphenyl)-6-(2-oxopropyl)-1,2,3,4-tetrahydroazepin-7-one IUPAC Name: 5-(3-methoxyphenyl)-6-(2-oxopropyl)-1,2,3,4-tetrahydroazepin-7-one Traditional Name: 6-acetonyl-5-(3-methoxyphenyl)-1,2,3,4-tetrahydroazepin-7-one Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=C(CCCNC1=O)C2=CC(=CC=C2)OC

Isomeric SMILES

CC(=O)CC1=C(CCCNC1=O)C2=CC(=CC=C2)OC

InChI

InChI=1S/C16H19NO3/c1-11(18)9-15-14(7-4-8-17-16(15)19)12-5-3-6-13(10-12)20-2/h3,5-6,10H,4,7-9H2,1-2H3,(H,17,19)