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

Systemtic Name: 6-(3-azanylpropyl)-4-ethenyl-9-(1H-pyrazol-4-yl)-2H-benzo[h]isoquinolin-1-one Openeye Name: 6-(3-aminopropyl)-9-(1H-pyrazol-4-yl)-4-vinyl-2H-benzo[h]isoquinolin-1-one CAS Name: 6-(3-aminopropyl)-4-ethenyl-9-(1H-pyrazol-4-yl)-2H-benzo[h]isoquinolin-1-one IUPAC Name: 6-(3-aminopropyl)-4-ethenyl-9-(1H-pyrazol-4-yl)-2H-benzo[h]isoquinolin-1-one Traditional Name: 6-(3-aminopropyl)-9-(1H-pyrazol-4-yl)-4-vinyl-2H-benz[h]isoquinolin-1-one Formula: C21H20N4O MolecularWeight: 344.4097

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CNC(=O)C2=C3C=C(C=CC3=C(C=C12)CCCN)C4=CNN=C4

Isomeric SMILES

C=CC1=CNC(=O)C2=C3C=C(C=CC3=C(C=C12)CCCN)C4=CNN=C4

InChI

InChI=1S/C21H20N4O/c1-2-13-10-23-21(26)20-18(13)9-15(4-3-7-22)17-6-5-14(8-19(17)20)16-11-24-25-12-16/h2,5-6,8-12H,1,3-4,7,22H2,(H,23,26)(H,24,25)