(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxidanylidene-azepane-3-carboxamide

Systemtic Name: (3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxidanylidene-azepane-3-carboxamide Openeye Name: (3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxo-azepane-3-carboxamide CAS Name: (3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxo-3-azepanecarboxamide IUPAC Name: (3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxoazepane-3-carboxamide Traditional Name: (3S)-1-(3-amidinobenzyl)-2-keto-azepane-3-carboxamide Formula: C15H20N4O2 MolecularWeight: 288.3449

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)C(=O)N)CC2=CC=CC(=C2)C(=N)N

Isomeric SMILES

C1CCN(C(=O)[C@@H](C1)C(=O)N)CC2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C15H20N4O2/c16-13(17)11-5-3-4-10(8-11)9-19-7-2-1-6-12(14(18)20)15(19)21/h3-5,8,12H,1-2,6-7,9H2,(H3,16,17)(H2,18,20)/t12-/m0/s1