[4-(butylamino)-1-(furan-2-ylmethyl)-6-phenyl-pyrazolo[3,4-b]pyridin-5-yl]-phenyl-methanone

Systemtic Name: [4-(butylamino)-1-(furan-2-ylmethyl)-6-phenyl-pyrazolo[3,4-b]pyridin-5-yl]-phenyl-methanone Openeye Name: [4-(butylamino)-1-(2-furylmethyl)-6-phenyl-pyrazolo[3,4-b]pyridin-5-yl]-phenyl-methanone CAS Name: [4-(butylamino)-1-(2-furanylmethyl)-6-phenyl-5-pyrazolo[3,4-b]pyridinyl]-phenylmethanone IUPAC Name: [4-(butylamino)-1-(furan-2-ylmethyl)-6-phenylpyrazolo[3,4-b]pyridin-5-yl]-phenylmethanone Traditional Name: [4-(butylamino)-1-(2-furfuryl)-6-phenyl-pyrazolo[3,4-b]pyridin-5-yl]-phenyl-methanone Formula: C28H26N4O2 MolecularWeight: 450.53164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C2C=NN(C2=NC(=C1C(=O)C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CO5

Isomeric SMILES

CCCCNC1=C2C=NN(C2=NC(=C1C(=O)C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CO5

InChI

InChI=1S/C28H26N4O2/c1-2-3-16-29-26-23-18-30-32(19-22-15-10-17-34-22)28(23)31-25(20-11-6-4-7-12-20)24(26)27(33)21-13-8-5-9-14-21/h4-15,17-18H,2-3,16,19H2,1H3,(H,29,31)