N-(3,3-dimethylbutan-2-yl)-3-(morpholin-4-ylmethyl)-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-(3,3-dimethylbutan-2-yl)-3-(morpholin-4-ylmethyl)-2-phenyl-quinoline-4-carboxamide Openeye Name: 3-(morpholinomethyl)-2-phenyl-N-(1,2,2-trimethylpropyl)quinoline-4-carboxamide CAS Name: N-(3,3-dimethylbutan-2-yl)-3-(4-morpholinylmethyl)-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(3,3-dimethylbutan-2-yl)-3-(morpholin-4-ylmethyl)-2-phenylquinoline-4-carboxamide Traditional Name: 3-(morpholinomethyl)-2-phenyl-N-(1,2,2-trimethylpropyl)cinchoninamide Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)NC(=O)C1=C(C(=NC2=CC=CC=C21)C3=CC=CC=C3)CN4CCOCC4

Isomeric SMILES

CC(C(C)(C)C)NC(=O)C1=C(C(=NC2=CC=CC=C21)C3=CC=CC=C3)CN4CCOCC4

InChI

InChI=1S/C27H33N3O2/c1-19(27(2,3)4)28-26(31)24-21-12-8-9-13-23(21)29-25(20-10-6-5-7-11-20)22(24)18-30-14-16-32-17-15-30/h5-13,19H,14-18H2,1-4H3,(H,28,31)