6-(3-azanylpropyl)-4-(2-fluorophenyl)-9-(1H-pyrazol-4-yl)-2H-benzo[h]isoquinolin-1-one

Systemtic Name: 6-(3-azanylpropyl)-4-(2-fluorophenyl)-9-(1H-pyrazol-4-yl)-2H-benzo[h]isoquinolin-1-one Openeye Name: 6-(3-aminopropyl)-4-(2-fluorophenyl)-9-(1H-pyrazol-4-yl)-2H-benzo[h]isoquinolin-1-one CAS Name: 6-(3-aminopropyl)-4-(2-fluorophenyl)-9-(1H-pyrazol-4-yl)-2H-benzo[h]isoquinolin-1-one IUPAC Name: 6-(3-aminopropyl)-4-(2-fluorophenyl)-9-(1H-pyrazol-4-yl)-2H-benzo[h]isoquinolin-1-one Traditional Name: 6-(3-aminopropyl)-4-(2-fluorophenyl)-9-(1H-pyrazol-4-yl)-2H-benz[h]isoquinolin-1-one Formula: C25H21FN4O MolecularWeight: 412.458843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CNC(=O)C3=C4C=C(C=CC4=C(C=C23)CCCN)C5=CNN=C5)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=CNC(=O)C3=C4C=C(C=CC4=C(C=C23)CCCN)C5=CNN=C5)F

InChI

InChI=1S/C25H21FN4O/c26-23-6-2-1-5-19(23)22-14-28-25(31)24-20-10-15(17-12-29-30-13-17)7-8-18(20)16(4-3-9-27)11-21(22)24/h1-2,5-8,10-14H,3-4,9,27H2,(H,28,31)(H,29,30)