2-[5-[4-(aminomethyl)phenyl]-2,4-bis(oxidanylidene)-1-[(4-phenylmethoxyphenyl)methyl]-1,5-benzodiazepin-3-yl]-N-[(2-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[5-[4-(aminomethyl)phenyl]-2,4-bis(oxidanylidene)-1-[(4-phenylmethoxyphenyl)methyl]-1,5-benzodiazepin-3-yl]-N-[(2-fluorophenyl)methyl]ethanamide Openeye Name: 2-[5-[4-(aminomethyl)phenyl]-1-[(4-benzyloxyphenyl)methyl]-2,4-dioxo-1,5-benzodiazepin-3-yl]-N-[(2-fluorophenyl)methyl]acetamide CAS Name: 2-[5-[4-(aminomethyl)phenyl]-2,4-dioxo-1-[(4-phenylmethoxyphenyl)methyl]-1,5-benzodiazepin-3-yl]-N-[(2-fluorophenyl)methyl]acetamide IUPAC Name: 2-[5-[4-(aminomethyl)phenyl]-2,4-dioxo-1-[(4-phenylmethoxyphenyl)methyl]-1,5-benzodiazepin-3-yl]-N-[(2-fluorophenyl)methyl]acetamide Traditional Name: 2-[5-[4-(aminomethyl)phenyl]-1-(4-benzoxybenzyl)-2,4-diketo-1,5-benzodiazepin-3-yl]-N-(2-fluorobenzyl)acetamide Formula: C39H35FN4O4 MolecularWeight: 642.718003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CN3C4=CC=CC=C4N(C(=O)C(C3=O)CC(=O)NCC5=CC=CC=C5F)C6=CC=C(C=C6)CN

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CN3C4=CC=CC=C4N(C(=O)C(C3=O)CC(=O)NCC5=CC=CC=C5F)C6=CC=C(C=C6)CN

InChI

InChI=1S/C39H35FN4O4/c40-34-11-5-4-10-30(34)24-42-37(45)22-33-38(46)43(25-28-16-20-32(21-17-28)48-26-29-8-2-1-3-9-29)35-12-6-7-13-36(35)44(39(33)47)31-18-14-27(23-41)15-19-31/h1-21,33H,22-26,41H2,(H,42,45)