1-[(3-aminophenyl)methyl]azepane-2,7-dione

Systemtic Name: 1-[(3-aminophenyl)methyl]azepane-2,7-dione Openeye Name: 1-[(3-aminophenyl)methyl]azepane-2,7-dione CAS Name: 1-[(3-aminophenyl)methyl]azepane-2,7-dione IUPAC Name: 1-[(3-aminophenyl)methyl]azepane-2,7-dione Traditional Name: 1-(3-aminobenzyl)azepane-2,7-quinone Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)CC2=CC(=CC=C2)N

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)CC2=CC(=CC=C2)N

InChI

InChI=1S/C13H16N2O2/c14-11-5-3-4-10(8-11)9-15-12(16)6-1-2-7-13(15)17/h3-5,8H,1-2,6-7,9,14H2