1-[2-azanyl-2-(3-methoxyphenyl)ethyl]azepane-2,7-dione

Systemtic Name: 1-[2-azanyl-2-(3-methoxyphenyl)ethyl]azepane-2,7-dione Openeye Name: 1-[2-amino-2-(3-methoxyphenyl)ethyl]azepane-2,7-dione CAS Name: 1-[2-amino-2-(3-methoxyphenyl)ethyl]azepane-2,7-dione IUPAC Name: 1-[2-amino-2-(3-methoxyphenyl)ethyl]azepane-2,7-dione Traditional Name: 1-[2-amino-2-(3-methoxyphenyl)ethyl]azepane-2,7-quinone Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CN2C(=O)CCCCC2=O)N

Isomeric SMILES

COC1=CC=CC(=C1)C(CN2C(=O)CCCCC2=O)N

InChI

InChI=1S/C15H20N2O3/c1-20-12-6-4-5-11(9-12)13(16)10-17-14(18)7-2-3-8-15(17)19/h4-6,9,13H,2-3,7-8,10,16H2,1H3