N-tert-butyl-2-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-tert-butyl-2-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-tert-butyl-2-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-tert-butyl-2-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-tert-butyl-2-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-tert-butyl-2-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CC2=CC=CC=C2CN1CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)NC(=O)C1CC2=CC=CC=C2CN1CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C23H29N3O5/c1-23(2,3)24-22(28)21-12-16-6-4-5-7-17(16)13-25(21)14-19(27)15-31-20-10-8-18(9-11-20)26(29)30/h4-11,19,21,27H,12-15H2,1-3H3,(H,24,28)