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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O2/c15-9-11-4-3-5-12(8-11)10-16-13(17)6-1-2-7-14(16)18/h3-5,8H,1-2,6-7,9-10,15H2