(3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-pentyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: (3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-pentyl-3H-1,4-benzodiazepin-2-one Openeye Name: (3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-pentyl-3H-1,4-benzodiazepin-2-one CAS Name: (3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-pentyl-3H-1,4-benzodiazepin-2-one IUPAC Name: (3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-pentyl-3H-1,4-benzodiazepin-2-one Traditional Name: (3R)-1-amyl-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-3H-1,4-benzodiazepin-2-one Formula: C29H28FN3O MolecularWeight: 453.550523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2C(=NC(C1=O)CC3=CNC4=CC=CC=C43)C5=CC=CC=C5F

Isomeric SMILES

CCCCCN1C2=CC=CC=C2C(=N[C@@H](C1=O)CC3=CNC4=CC=CC=C43)C5=CC=CC=C5F

InChI

InChI=1S/C29H28FN3O/c1-2-3-10-17-33-27-16-9-6-13-23(27)28(22-12-4-7-14-24(22)30)32-26(29(33)34)18-20-19-31-25-15-8-5-11-21(20)25/h4-9,11-16,19,26,31H,2-3,10,17-18H2,1H3/t26-/m1/s1