1-[(2Z)-2-[[1-methyl-4-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylcarbonyl)piperidin-1-yl]pyrrolo[2,3-b]pyridin-3-yl]methylidene]-3-oxidanylidene-1-benzofuran-5-yl]-3-pyridin-3-yl-urea

Systemtic Name: 1-[(2Z)-2-[[1-methyl-4-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylcarbonyl)piperidin-1-yl]pyrrolo[2,3-b]pyridin-3-yl]methylidene]-3-oxidanylidene-1-benzofuran-5-yl]-3-pyridin-3-yl-urea Openeye Name: 1-[(2Z)-2-[[1-methyl-4-[4-(3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl)-1-piperidyl]pyrrolo[2,3-b]pyridin-3-yl]methylene]-3-oxo-benzofuran-5-yl]-3-(3-pyridyl)urea CAS Name: 1-[(2Z)-2-[[1-methyl-4-[4-[3-oxa-8-azabicyclo[3.2.1]octan-8-yl(oxo)methyl]-1-piperidinyl]-3-pyrrolo[2,3-b]pyridinyl]methylidene]-3-oxo-5-benzofuranyl]-3-(3-pyridinyl)urea IUPAC Name: 1-[(2Z)-2-[[1-methyl-4-[4-(3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl]pyrrolo[2,3-b]pyridin-3-yl]methylidene]-3-oxo-1-benzofuran-5-yl]-3-pyridin-3-ylurea Traditional Name: 1-[(2Z)-3-keto-2-[[1-methyl-4-[4-(3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidino]pyrrolo[2,3-b]pyridin-3-yl]methylene]coumaran-5-yl]-3-(3-pyridyl)urea Formula: C35H35N7O5 MolecularWeight: 633.6963

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C(C=CN=C21)N3CCC(CC3)C(=O)N4C5CCC4COC5)C=C6C(=O)C7=C(O6)C=CC(=C7)NC(=O)NC8=CN=CC=C8

Isomeric SMILES

CN1C=C(C2=C(C=CN=C21)N3CCC(CC3)C(=O)N4C5CCC4COC5)/C=C\6/C(=O)C7=C(O6)C=CC(=C7)NC(=O)NC8=CN=CC=C8

InChI

InChI=1S/C35H35N7O5/c1-40-18-22(15-30-32(43)27-16-23(4-7-29(27)47-30)38-35(45)39-24-3-2-11-36-17-24)31-28(8-12-37-33(31)40)41-13-9-21(10-14-41)34(44)42-25-5-6-26(42)20-46-19-25/h2-4,7-8,11-12,15-18,21,25-26H,5-6,9-10,13-14,19-20H2,1H3,(H2,38,39,45)/b30-15-