actinium; 2-oxidanyl-4-phenyl-3-[(phenylmethyl)-[(phenylmethyl)peroxymethyl]amino]butanenitrile

Systemtic Name: actinium; 2-oxidanyl-4-phenyl-3-[(phenylmethyl)-[(phenylmethyl)peroxymethyl]amino]butanenitrile Openeye Name: actinium; 3-[benzyl(benzylperoxymethyl)amino]-2-hydroxy-4-phenyl-butanenitrile CAS Name: actinium; 2-hydroxy-4-phenyl-3-[(phenylmethyl)-[(phenylmethyl)dioxymethyl]amino]butanenitrile IUPAC Name: actinium; 3-[benzyl(benzylperoxymethyl)amino]-2-hydroxy-4-phenylbutanenitrile Traditional Name: actinium; 3-[benzyl(benzylperoxymethyl)amino]-2-hydroxy-4-phenyl-butyronitrile Formula: C25H26AcN2O3 MolecularWeight: 629.513287

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(C#N)O)N(CC2=CC=CC=C2)COOCC3=CC=CC=C3.[Ac]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(C#N)O)N(CC2=CC=CC=C2)COOCC3=CC=CC=C3.[Ac]

InChI

InChI=1S/C25H26N2O3.Ac/c26-17-25(28)24(16-21-10-4-1-5-11-21)27(18-22-12-6-2-7-13-22)20-30-29-19-23-14-8-3-9-15-23;/h1-15,24-25,28H,16,18-20H2;