3-azanyl-1-[(2-ethanoylthiophen-3-yl)methyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-azanyl-1-[(2-ethanoylthiophen-3-yl)methyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 1-[(2-acetyl-3-thienyl)methyl]-3-amino-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one CAS Name: 1-[(2-acetyl-3-thiophenyl)methyl]-3-amino-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-[(2-acetylthiophen-3-yl)methyl]-3-amino-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 1-[(2-acetyl-3-thienyl)methyl]-3-amino-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one Formula: C22H18FN3O2S MolecularWeight: 407.460623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CS1)CN2C3=CC=CC=C3C(=NC(C2=O)N)C4=CC=CC=C4F

Isomeric SMILES

CC(=O)C1=C(C=CS1)CN2C3=CC=CC=C3C(=NC(C2=O)N)C4=CC=CC=C4F

InChI

InChI=1S/C22H18FN3O2S/c1-13(27)20-14(10-11-29-20)12-26-18-9-5-3-7-16(18)19(25-21(24)22(26)28)15-6-2-4-8-17(15)23/h2-11,21H,12,24H2,1H3