N-methyl-3-phenyl-2-(propan-2-ylcarbamoyl)-5-(2-pyridin-2-ylethoxy)inden-1-imine oxide

Systemtic Name: N-methyl-3-phenyl-2-(propan-2-ylcarbamoyl)-5-(2-pyridin-2-ylethoxy)inden-1-imine oxide Openeye Name: 2-(isopropylcarbamoyl)-N-methyl-3-phenyl-5-[2-(2-pyridyl)ethoxy]inden-1-imine oxide CAS Name: N-methyl-2-[oxo-(propan-2-ylamino)methyl]-3-phenyl-5-[2-(2-pyridinyl)ethoxy]-1-indenimine oxide IUPAC Name: N-methyl-3-phenyl-2-(propan-2-ylcarbamoyl)-5-(2-pyridin-2-ylethoxy)inden-1-imine oxide Traditional Name: 2-(isopropylcarbamoyl)-N-methyl-3-phenyl-5-[2-(2-pyridyl)ethoxy]inden-1-imine oxide Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=C(C2=C(C1=[N+](C)[O-])C=CC(=C2)OCCC3=CC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)C\1=C(C2=C(/C1=[N+](/C)\[O-])C=CC(=C2)OCCC3=CC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3/c1-18(2)29-27(31)25-24(19-9-5-4-6-10-19)23-17-21(12-13-22(23)26(25)30(3)32)33-16-14-20-11-7-8-15-28-20/h4-13,15,17-18H,14,16H2,1-3H3,(H,29,31)/b30-26+