1-[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(2-phenoxyphenyl)ethanone

Systemtic Name: 1-[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(2-phenoxyphenyl)ethanone Openeye Name: 1-[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(2-phenoxyphenyl)ethanone CAS Name: 1-[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(2-phenoxyphenyl)ethanone IUPAC Name: 1-[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(2-phenoxyphenyl)ethanone Traditional Name: 1-[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(2-phenoxyphenyl)ethanone Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2CN1C(=O)CC3=CC=CC=C3OC4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

C1CN(C2=CC=CC=C2CN1C(=O)CC3=CC=CC=C3OC4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C27H26N4O2/c32-27(16-21-8-5-7-13-26(21)33-24-10-2-1-3-11-24)31-15-14-30(19-23-17-28-20-29-23)25-12-6-4-9-22(25)18-31/h1-13,17,20H,14-16,18-19H2,(H,28,29)