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

Systemtic Name: 6-(3-azanylpropyl)-4-(3-chlorophenyl)-9-(1H-pyrazol-4-yl)-2H-benzo[h]isoquinolin-1-one Openeye Name: 6-(3-aminopropyl)-4-(3-chlorophenyl)-9-(1H-pyrazol-4-yl)-2H-benzo[h]isoquinolin-1-one CAS Name: 6-(3-aminopropyl)-4-(3-chlorophenyl)-9-(1H-pyrazol-4-yl)-2H-benzo[h]isoquinolin-1-one IUPAC Name: 6-(3-aminopropyl)-4-(3-chlorophenyl)-9-(1H-pyrazol-4-yl)-2H-benzo[h]isoquinolin-1-one Traditional Name: 6-(3-aminopropyl)-4-(3-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(=C1)Cl)C2=CNC(=O)C3=C4C=C(C=CC4=C(C=C23)CCCN)C5=CNN=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClN4O/c26-19-5-1-3-16(9-19)23-14-28-25(31)24-21-10-15(18-12-29-30-13-18)6-7-20(21)17(4-2-8-27)11-22(23)24/h1,3,5-7,9-14H,2,4,8,27H2,(H,28,31)(H,29,30)