(NE)-N-[[(4-methoxyphenyl)amino]-phenyl-methylidene]-N'-phenyl-azepane-1-carboximidamide

Systemtic Name: (NE)-N-[[(4-methoxyphenyl)amino]-phenyl-methylidene]-N'-phenyl-azepane-1-carboximidamide Openeye Name: (NE)-N-[(4-methoxyanilino)-phenyl-methylene]-N'-phenyl-azepane-1-carboxamidine CAS Name: (NE)-N-[(4-methoxyanilino)-phenylmethylidene]-N'-phenyl-1-azepanecarboximidamide IUPAC Name: (NE)-N-[(4-methoxyanilino)-phenylmethylidene]-N'-phenylazepane-1-carboximidamide Traditional Name: (NE)-N-[p-anisidino(phenyl)methylene]-N'-phenyl-azepane-1-carboxamidine Formula: C27H30N4O MolecularWeight: 426.5533

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=NC(=NC2=CC=CC=C2)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N/C(=N/C(=NC2=CC=CC=C2)N3CCCCCC3)/C4=CC=CC=C4

InChI

InChI=1S/C27H30N4O/c1-32-25-18-16-24(17-19-25)28-26(22-12-6-4-7-13-22)30-27(29-23-14-8-5-9-15-23)31-20-10-2-3-11-21-31/h4-9,12-19H,2-3,10-11,20-21H2,1H3,(H,28,29,30)