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

Systemtic Name: 1-[1-(3-aminophenyl)ethyl]azepane-2,7-dione Openeye Name: 1-[1-(3-aminophenyl)ethyl]azepane-2,7-dione CAS Name: 1-[1-(3-aminophenyl)ethyl]azepane-2,7-dione IUPAC Name: 1-[1-(3-aminophenyl)ethyl]azepane-2,7-dione Traditional Name: 1-[1-(3-aminophenyl)ethyl]azepane-2,7-quinone Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)N)N2C(=O)CCCCC2=O

Isomeric SMILES

CC(C1=CC(=CC=C1)N)N2C(=O)CCCCC2=O

InChI

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