1-[5-tert-butyl-2-(6-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea

Systemtic Name: 1-[5-tert-butyl-2-(6-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea Openeye Name: 1-[5-tert-butyl-2-(6-methyl-1-oxido-pyridin-1-ium-3-yl)pyrazol-3-yl]-3-[4-(2-morpholinoethoxy)-1-naphthyl]urea CAS Name: 1-[5-tert-butyl-2-(6-methyl-1-oxido-3-pyridin-1-iumyl)-3-pyrazolyl]-3-[4-[2-(4-morpholinyl)ethoxy]-1-naphthalenyl]urea IUPAC Name: 1-[5-tert-butyl-2-(6-methyl-1-oxidopyridin-1-ium-3-yl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea Traditional Name: 1-[5-tert-butyl-2-(6-methyl-1-oxido-pyridin-1-ium-3-yl)pyrazol-3-yl]-3-[4-(2-morpholinoethoxy)-1-naphthyl]urea Formula: C30H36N6O4 MolecularWeight: 544.64464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5)[O-]

Isomeric SMILES

CC1=[N+](C=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5)[O-]

InChI

InChI=1S/C30H36N6O4/c1-21-9-10-22(20-35(21)38)36-28(19-27(33-36)30(2,3)4)32-29(37)31-25-11-12-26(24-8-6-5-7-23(24)25)40-18-15-34-13-16-39-17-14-34/h5-12,19-20H,13-18H2,1-4H3,(H2,31,32,37)