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

Systemtic Name: 6-(3-azanylpropyl)-4-(4-chlorophenyl)-9-(1H-pyrazol-4-yl)-2H-benzo[h]isoquinolin-1-one Openeye Name: 6-(3-aminopropyl)-4-(4-chlorophenyl)-9-(1H-pyrazol-4-yl)-2H-benzo[h]isoquinolin-1-one CAS Name: 6-(3-aminopropyl)-4-(4-chlorophenyl)-9-(1H-pyrazol-4-yl)-2H-benzo[h]isoquinolin-1-one IUPAC Name: 6-(3-aminopropyl)-4-(4-chlorophenyl)-9-(1H-pyrazol-4-yl)-2H-benzo[h]isoquinolin-1-one Traditional Name: 6-(3-aminopropyl)-4-(4-chlorophenyl)-9-(1H-pyrazol-4-yl)-2H-benz[h]isoquinolin-1-one Formula: C25H21ClN4O MolecularWeight: 428.91344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CNC(=O)C3=C4C=C(C=CC4=C(C=C23)CCCN)C5=CNN=C5)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CNC(=O)C3=C4C=C(C=CC4=C(C=C23)CCCN)C5=CNN=C5)Cl

InChI

InChI=1S/C25H21ClN4O/c26-19-6-3-15(4-7-19)23-14-28-25(31)24-21-10-16(18-12-29-30-13-18)5-8-20(21)17(2-1-9-27)11-22(23)24/h3-8,10-14H,1-2,9,27H2,(H,28,31)(H,29,30)