2-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5,7,8-tetrahydro-2H-1,4-benzodiazepin-4-yl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5,7,8-tetrahydro-2H-1,4-benzodiazepin-4-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5,7,8-tetrahydro-2H-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid CAS Name: 2-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5,7,8-tetrahydro-2H-1,4-benzodiazepin-4-yl]-2-phenylacetic acid IUPAC Name: 2-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5,7,8-tetrahydro-2H-1,4-benzodiazepin-4-yl]-2-phenylacetic acid Traditional Name: 2-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5,7,8-tetrahydro-2H-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CCC(C=C2CN1C(C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

C1CN(C2=CCC(C=C2CN1C(C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C27H28N4O2/c32-27(33)26(21-9-5-2-6-10-21)31-14-13-30(18-24-16-28-19-29-24)25-12-11-22(15-23(25)17-31)20-7-3-1-4-8-20/h1-10,12,15-16,19,22,26H,11,13-14,17-18H2,(H,28,29)(H,32,33)