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

Systemtic Name: 1-[(3-azanyl-2-methyl-phenyl)methyl]azepane-2,7-dione Openeye Name: 1-[(3-amino-2-methyl-phenyl)methyl]azepane-2,7-dione CAS Name: 1-[(3-amino-2-methylphenyl)methyl]azepane-2,7-dione IUPAC Name: 1-[(3-amino-2-methylphenyl)methyl]azepane-2,7-dione Traditional Name: 1-(3-amino-2-methyl-benzyl)azepane-2,7-quinone Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N)CN2C(=O)CCCCC2=O

Isomeric SMILES

CC1=C(C=CC=C1N)CN2C(=O)CCCCC2=O

InChI

InChI=1S/C14H18N2O2/c1-10-11(5-4-6-12(10)15)9-16-13(17)7-2-3-8-14(16)18/h4-6H,2-3,7-9,15H2,1H3