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

Systemtic Name: 3-azanyl-5-(2-fluorophenyl)-1-(isoquinolin-1-ylmethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-5-(2-fluorophenyl)-1-(1-isoquinolylmethyl)-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-5-(2-fluorophenyl)-1-(1-isoquinolinylmethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-5-(2-fluorophenyl)-1-(isoquinolin-1-ylmethyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-5-(2-fluorophenyl)-1-(1-isoquinolylmethyl)-3H-1,4-benzodiazepin-2-one Formula: C25H19FN4O MolecularWeight: 410.442963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2CN3C4=CC=CC=C4C(=NC(C3=O)N)C5=CC=CC=C5F

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2CN3C4=CC=CC=C4C(=NC(C3=O)N)C5=CC=CC=C5F

InChI

InChI=1S/C25H19FN4O/c26-20-11-5-3-9-18(20)23-19-10-4-6-12-22(19)30(25(31)24(27)29-23)15-21-17-8-2-1-7-16(17)13-14-28-21/h1-14,24H,15,27H2