N-[4-(4-azanyl-1-piperidin-1-ium-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-4-phenylmethoxy-1H-indole-2-carboxamide

Systemtic Name: N-[4-(4-azanyl-1-piperidin-1-ium-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-4-phenylmethoxy-1H-indole-2-carboxamide Openeye Name: N-[4-(4-amino-1-piperidin-1-ium-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-4-benzyloxy-1H-indole-2-carboxamide CAS Name: N-[4-[4-amino-1-(4-piperidin-1-iumyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-4-phenylmethoxy-1H-indole-2-carboxamide IUPAC Name: N-[4-(4-amino-1-piperidin-1-ium-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-4-phenylmethoxy-1H-indole-2-carboxamide Traditional Name: N-[4-(4-amino-1-piperidin-1-ium-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenyl]-4-benzoxy-1H-indole-2-carboxamide Formula: C33H33N8O3+ MolecularWeight: 589.66692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CC[NH2+]CC4)NC(=O)C5=CC6=C(N5)C=CC=C6OCC7=CC=CC=C7

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CC[NH2+]CC4)NC(=O)C5=CC6=C(N5)C=CC=C6OCC7=CC=CC=C7

InChI

InChI=1S/C33H32N8O3/c1-43-28-16-21(30-29-31(34)36-19-37-32(29)41(40-30)22-12-14-35-15-13-22)10-11-25(28)39-33(42)26-17-23-24(38-26)8-5-9-27(23)44-18-20-6-3-2-4-7-20/h2-11,16-17,19,22,35,38H,12-15,18H2,1H3,(H,39,42)(H2,34,36,37)/p+1