6-[3-azanyl-1-[3-(3H-benzimidazol-5-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one

Systemtic Name: 6-[3-azanyl-1-[3-(3H-benzimidazol-5-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one Openeye Name: 6-[3-amino-1-[3-(3H-benzimidazol-5-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one CAS Name: 6-[3-amino-1-[3-(3H-benzimidazol-5-yl)phenyl]-4-pyrazolyl]-3,4-dihydro-2H-isoquinolin-1-one IUPAC Name: 6-[3-amino-1-[3-(3H-benzimidazol-5-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one Traditional Name: 6-[3-amino-1-[3-(3H-benzimidazol-5-yl)phenyl]pyrazol-4-yl]-3,4-dihydroisocarbostyril Formula: C25H20N6O MolecularWeight: 420.4659

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C2=C1C=C(C=C2)C3=CN(N=C3N)C4=CC=CC(=C4)C5=CC6=C(C=C5)N=CN6

Isomeric SMILES

C1CNC(=O)C2=C1C=C(C=C2)C3=CN(N=C3N)C4=CC=CC(=C4)C5=CC6=C(C=C5)N=CN6

InChI

InChI=1S/C25H20N6O/c26-24-21(17-4-6-20-18(10-17)8-9-27-25(20)32)13-31(30-24)19-3-1-2-15(11-19)16-5-7-22-23(12-16)29-14-28-22/h1-7,10-14H,8-9H2,(H2,26,30)(H,27,32)(H,28,29)