3-azanyl-5-(2-fluorophenyl)-1-[(2-oxidanylidenechromen-6-yl)methyl]-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-azanyl-5-(2-fluorophenyl)-1-[(2-oxidanylidenechromen-6-yl)methyl]-3H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-5-(2-fluorophenyl)-1-[(2-oxochromen-6-yl)methyl]-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-5-(2-fluorophenyl)-1-[(2-oxo-1-benzopyran-6-yl)methyl]-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-5-(2-fluorophenyl)-1-[(2-oxochromen-6-yl)methyl]-3H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-5-(2-fluorophenyl)-1-[(2-ketochromen-6-yl)methyl]-3H-1,4-benzodiazepin-2-one Formula: C25H18FN3O3 MolecularWeight: 427.427123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(C(=O)N2CC3=CC4=C(C=C3)OC(=O)C=C4)N)C5=CC=CC=C5F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(C(=O)N2CC3=CC4=C(C=C3)OC(=O)C=C4)N)C5=CC=CC=C5F

InChI

InChI=1S/C25H18FN3O3/c26-19-7-3-1-5-17(19)23-18-6-2-4-8-20(18)29(25(31)24(27)28-23)14-15-9-11-21-16(13-15)10-12-22(30)32-21/h1-13,24H,14,27H2