[(2S)-4-(4-iodophenyl)-2-phenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-phenyl-methanone

Systemtic Name: [(2S)-4-(4-iodophenyl)-2-phenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-phenyl-methanone Openeye Name: [(2S)-4-(4-iodophenyl)-2-phenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-phenyl-methanone CAS Name: [(2S)-4-(4-iodophenyl)-2-phenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-phenylmethanone IUPAC Name: [(2S)-4-(4-iodophenyl)-2-phenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-phenylmethanone Traditional Name: [(2S)-4-(4-iodophenyl)-2-phenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-phenyl-methanone Formula: C28H21IN2O MolecularWeight: 528.38361

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2N=C1C3=CC=C(C=C3)I)C(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1[C@H](N(C2=CC=CC=C2N=C1C3=CC=C(C=C3)I)C(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H21IN2O/c29-23-17-15-20(16-18-23)25-19-27(21-9-3-1-4-10-21)31(26-14-8-7-13-24(26)30-25)28(32)22-11-5-2-6-12-22/h1-18,27H,19H2/t27-/m0/s1