methyl 2-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-phenyl-ethanoate Openeye Name: methyl 2-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-phenyl-acetate CAS Name: 2-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-phenylacetate Traditional Name: 2-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid methyl ester Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)N2CCN(C3=C(C2)C=C(C=C3)C4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)N2CCN(C3=C(C2)C=C(C=C3)C4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C28H28N4O2/c1-34-28(33)27(22-10-6-3-7-11-22)32-15-14-31(19-25-17-29-20-30-25)26-13-12-23(16-24(26)18-32)21-8-4-2-5-9-21/h2-13,16-17,20,27H,14-15,18-19H2,1H3,(H,29,30)