5-[(cyclohexylamino)methyl]-3-(4-methylphenyl)-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one

Systemtic Name: 5-[(cyclohexylamino)methyl]-3-(4-methylphenyl)-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one Openeye Name: 5-[(cyclohexylamino)methyl]-1-phenyl-3-(p-tolyl)-2H-pyrazolo[3,4-b]pyridin-6-one CAS Name: 5-[(cyclohexylamino)methyl]-3-(4-methylphenyl)-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one IUPAC Name: 5-[(cyclohexylamino)methyl]-3-(4-methylphenyl)-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one Traditional Name: 5-[(cyclohexylamino)methyl]-1-phenyl-3-(p-tolyl)-2H-pyrazolo[3,4-b]pyridin-6-one Formula: C26H28N4O MolecularWeight: 412.52672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=C(C(=O)N=C3N(N2)C4=CC=CC=C4)CNC5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=C(C(=O)N=C3N(N2)C4=CC=CC=C4)CNC5CCCCC5

InChI

InChI=1S/C26H28N4O/c1-18-12-14-19(15-13-18)24-23-16-20(17-27-21-8-4-2-5-9-21)26(31)28-25(23)30(29-24)22-10-6-3-7-11-22/h3,6-7,10-16,21,27,29H,2,4-5,8-9,17H2,1H3