(4Z)-4-[(azepan-1-ylamino)methylidene]-2-iodanyl-6-methoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-4-[(azepan-1-ylamino)methylidene]-2-iodanyl-6-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-4-[(azepan-1-ylamino)methylene]-2-iodo-6-methoxy-cyclohexa-2,5-dien-1-one CAS Name: (4Z)-4-[(1-azepanylamino)methylidene]-2-iodo-6-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-4-[(azepan-1-ylamino)methylidene]-2-iodo-6-methoxycyclohexa-2,5-dien-1-one Traditional Name: (4Z)-4-[(azepan-1-ylamino)methylene]-2-iodo-6-methoxy-cyclohexa-2,5-dien-1-one Formula: C14H19IN2O2 MolecularWeight: 374.21733

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNN2CCCCCC2)C=C(C1=O)I

Isomeric SMILES

COC1=C/C(=C/NN2CCCCCC2)/C=C(C1=O)I

InChI

InChI=1S/C14H19IN2O2/c1-19-13-9-11(8-12(15)14(13)18)10-16-17-6-4-2-3-5-7-17/h8-10,16H,2-7H2,1H3/b11-10+