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

Systemtic Name: 6-[3-azanyl-1-[3-(3-methoxyphenyl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one Openeye Name: 6-[3-amino-1-[3-(3-methoxyphenyl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one CAS Name: 6-[3-amino-1-[3-(3-methoxyphenyl)phenyl]-4-pyrazolyl]-3,4-dihydro-2H-isoquinolin-1-one IUPAC Name: 6-[3-amino-1-[3-(3-methoxyphenyl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one Traditional Name: 6-[3-amino-1-[3-(3-methoxyphenyl)phenyl]pyrazol-4-yl]-3,4-dihydroisocarbostyril Formula: C25H22N4O2 MolecularWeight: 410.46778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=CC=C2)N3C=C(C(=N3)N)C4=CC5=C(C=C4)C(=O)NCC5

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=CC=C2)N3C=C(C(=N3)N)C4=CC5=C(C=C4)C(=O)NCC5

InChI

InChI=1S/C25H22N4O2/c1-31-21-7-3-5-17(14-21)16-4-2-6-20(13-16)29-15-23(24(26)28-29)18-8-9-22-19(12-18)10-11-27-25(22)30/h2-9,12-15H,10-11H2,1H3,(H2,26,28)(H,27,30)