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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-6-(2-oxidanylidenepropyl)-1,2,3,4-tetrahydroazepin-7-one Openeye Name: 6-acetonyl-5-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroazepin-7-one CAS Name: 5-(3,4-dimethoxyphenyl)-6-(2-oxopropyl)-1,2,3,4-tetrahydroazepin-7-one IUPAC Name: 5-(3,4-dimethoxyphenyl)-6-(2-oxopropyl)-1,2,3,4-tetrahydroazepin-7-one Traditional Name: 6-acetonyl-5-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroazepin-7-one Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO4/c1-11(19)9-14-13(5-4-8-18-17(14)20)12-6-7-15(21-2)16(10-12)22-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,20)