1-[2-(diphenylmethyl)oxyethyl]-4-[(E)-3-(3-iodanylphenyl)prop-2-enyl]piperazine

Systemtic Name: 1-[2-(diphenylmethyl)oxyethyl]-4-[(E)-3-(3-iodanylphenyl)prop-2-enyl]piperazine Openeye Name: 1-(2-benzhydryloxyethyl)-4-[(E)-3-(3-iodanylphenyl)allyl]piperazine CAS Name: 1-[2-(diphenylmethyl)oxyethyl]-4-[(E)-3-(3-iodanylphenyl)prop-2-enyl]piperazine IUPAC Name: 1-(2-benzhydryloxyethyl)-4-[(E)-3-(3-iodanylphenyl)prop-2-enyl]piperazine Traditional Name: 1-(2-benzhydryloxyethyl)-4-[(E)-3-(3-iodanylphenyl)allyl]piperazine Formula: C28H31IN2O MolecularWeight: 536.463164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)CC=CC4=CC(=CC=C4)I

Isomeric SMILES

C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)C/C=C/C4=CC(=CC=C4)[125I]

InChI

InChI=1S/C28H31IN2O/c29-27-15-7-9-24(23-27)10-8-16-30-17-19-31(20-18-30)21-22-32-28(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-15,23,28H,16-22H2/b10-8+/i29-2