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

Systemtic Name: 3-azanyl-1-[(4-chloranylpyridin-2-yl)methyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-1-[(4-chloro-2-pyridyl)methyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-1-[(4-chloro-2-pyridinyl)methyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-1-[(4-chloropyridin-2-yl)methyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-1-[(4-chloro-2-pyridyl)methyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one Formula: C21H16ClFN4O MolecularWeight: 394.829343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(C(=O)N2CC3=NC=CC(=C3)Cl)N)C4=CC=CC=C4F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(C(=O)N2CC3=NC=CC(=C3)Cl)N)C4=CC=CC=C4F

InChI

InChI=1S/C21H16ClFN4O/c22-13-9-10-25-14(11-13)12-27-18-8-4-2-6-16(18)19(26-20(24)21(27)28)15-5-1-3-7-17(15)23/h1-11,20H,12,24H2