1-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-[5-(2-morpholin-4-ylethoxy)-2H-chromen-8-yl]urea

Systemtic Name: 1-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-[5-(2-morpholin-4-ylethoxy)-2H-chromen-8-yl]urea Openeye Name: 1-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-[5-(2-morpholinoethoxy)-2H-chromen-8-yl]urea CAS Name: 1-[5-tert-butyl-2-(4-nitrophenyl)-3-pyrazolyl]-3-[5-[2-(4-morpholinyl)ethoxy]-2H-1-benzopyran-8-yl]urea IUPAC Name: 1-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-[5-(2-morpholin-4-ylethoxy)-2H-chromen-8-yl]urea Traditional Name: 1-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-[5-(2-morpholinoethoxy)-2H-chromen-8-yl]urea Formula: C29H34N6O6 MolecularWeight: 562.61686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C3C(=C(C=C2)OCCN4CCOCC4)C=CCO3)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C3C(=C(C=C2)OCCN4CCOCC4)C=CCO3)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H34N6O6/c1-29(2,3)25-19-26(34(32-25)20-6-8-21(9-7-20)35(37)38)31-28(36)30-23-10-11-24(22-5-4-15-41-27(22)23)40-18-14-33-12-16-39-17-13-33/h4-11,19H,12-18H2,1-3H3,(H2,30,31,36)