actinium; N-[(E)-4-[(3-carbamimidoylphenyl)methyl]-5-oxidanyl-1-phenyl-pent-1-en-3-yl]-4-phenyl-benzamide

Systemtic Name: actinium; N-[(E)-4-[(3-carbamimidoylphenyl)methyl]-5-oxidanyl-1-phenyl-pent-1-en-3-yl]-4-phenyl-benzamide Openeye Name: actinium; N-[(E)-1-[1-[(3-carbamimidoylphenyl)methyl]-2-hydroxy-ethyl]-3-phenyl-allyl]-4-phenyl-benzamide CAS Name: actinium; N-[(E)-4-[(3-carbamimidoylphenyl)methyl]-5-hydroxy-1-phenylpent-1-en-3-yl]-4-phenylbenzamide IUPAC Name: actinium; N-[(E)-4-[(3-carbamimidoylphenyl)methyl]-5-hydroxy-1-phenylpent-1-en-3-yl]-4-phenylbenzamide Traditional Name: actinium; N-[(E)-1-[1-(3-amidinobenzyl)-2-hydroxy-ethyl]-3-phenyl-allyl]-4-phenyl-benzamide Formula: C32H31AcN3O2 MolecularWeight: 716.635187

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(C(CC2=CC=CC(=C2)C(=N)N)CO)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4.[Ac]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(C(CC2=CC=CC(=C2)C(=N)N)CO)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4.[Ac]

InChI

InChI=1S/C32H31N3O2.Ac/c33-31(34)28-13-7-10-24(20-28)21-29(22-36)30(19-14-23-8-3-1-4-9-23)35-32(37)27-17-15-26(16-18-27)25-11-5-2-6-12-25;/h1-20,29-30,36H,21-22H2,(H3,33,34)(H,35,37);/b19-14+;