N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-N-cyano-pyridine-3-carboximidamide hydrochloride

Systemtic Name: N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-N-cyano-pyridine-3-carboximidamide hydrochloride Openeye Name: N-cyano-N-[2-(3,4-dibenzyloxyphenyl)ethyl]pyridine-3-carboxamidine hydrochloride CAS Name: N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-N-cyano-3-pyridinecarboximidamide hydrochloride IUPAC Name: N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-N-cyanopyridine-3-carboximidamide hydrochloride Traditional Name: N-cyano-N-[2-(3,4-dibenzoxyphenyl)ethyl]nicotinamidine hydrochloride Formula: C29H27ClN4O2 MolecularWeight: 499.00328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)CCN(C#N)C(=N)C3=CN=CC=C3)OCC4=CC=CC=C4.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)CCN(C#N)C(=N)C3=CN=CC=C3)OCC4=CC=CC=C4.Cl

InChI

InChI=1S/C29H26N4O2.ClH/c30-22-33(29(31)26-12-7-16-32-19-26)17-15-23-13-14-27(34-20-24-8-3-1-4-9-24)28(18-23)35-21-25-10-5-2-6-11-25;/h1-14,16,18-19,31H,15,17,20-21H2;1H