3-azanyl-5-(2-fluorophenyl)-1-(pyridin-4-ylmethyl)-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-azanyl-5-(2-fluorophenyl)-1-(pyridin-4-ylmethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-5-(2-fluorophenyl)-1-(4-pyridylmethyl)-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-5-(2-fluorophenyl)-1-(pyridin-4-ylmethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-5-(2-fluorophenyl)-1-(pyridin-4-ylmethyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-5-(2-fluorophenyl)-1-(4-pyridylmethyl)-3H-1,4-benzodiazepin-2-one Formula: C21H17FN4O MolecularWeight: 360.384283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17FN4O/c22-17-7-3-1-5-15(17)19-16-6-2-4-8-18(16)26(21(27)20(23)25-19)13-14-9-11-24-12-10-14/h1-12,20H,13,23H2