furan-2-yl-[1-(1H-imidazol-5-ylmethyl)-7-isocyano-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanone

Systemtic Name: furan-2-yl-[1-(1H-imidazol-5-ylmethyl)-7-isocyano-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanone Openeye Name: [3-benzyl-1-(1H-imidazol-5-ylmethyl)-7-isocyano-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(2-furyl)methanone CAS Name: 2-furanyl-[1-(1H-imidazol-5-ylmethyl)-7-isocyano-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanone IUPAC Name: [3-benzyl-1-(1H-imidazol-5-ylmethyl)-7-isocyano-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(furan-2-yl)methanone Traditional Name: [3-benzyl-1-(1H-imidazol-5-ylmethyl)-7-isocyano-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(2-furyl)methanone Formula: C26H23N5O2 MolecularWeight: 437.49312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC2=C(C=C1)N(CC(N(C2)C(=O)C3=CC=CO3)CC4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

[C-]#[N+]C1=CC2=C(C=C1)N(CC(N(C2)C(=O)C3=CC=CO3)CC4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C26H23N5O2/c1-27-21-9-10-24-20(13-21)15-31(26(32)25-8-5-11-33-25)23(12-19-6-3-2-4-7-19)17-30(24)16-22-14-28-18-29-22/h2-11,13-14,18,23H,12,15-17H2,(H,28,29)