8-acetamido-2-ethyl-N-methyl-N-oxidanyl-5-phenyl-3,4-dihydro-1H-isoquinoline-7-carboxamide

Systemtic Name: 8-acetamido-2-ethyl-N-methyl-N-oxidanyl-5-phenyl-3,4-dihydro-1H-isoquinoline-7-carboxamide Openeye Name: 8-acetamido-2-ethyl-N-hydroxy-N-methyl-5-phenyl-3,4-dihydro-1H-isoquinoline-7-carboxamide CAS Name: 8-acetamido-2-ethyl-N-hydroxy-N-methyl-5-phenyl-3,4-dihydro-1H-isoquinoline-7-carboxamide IUPAC Name: 8-acetamido-2-ethyl-N-hydroxy-N-methyl-5-phenyl-3,4-dihydro-1H-isoquinoline-7-carboxamide Traditional Name: 8-acetamido-2-ethyl-N-hydroxy-N-methyl-5-phenyl-3,4-dihydro-1H-isoquinoline-7-carboxamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C1)C(=C(C=C2C3=CC=CC=C3)C(=O)N(C)O)NC(=O)C

Isomeric SMILES

CCN1CCC2=C(C1)C(=C(C=C2C3=CC=CC=C3)C(=O)N(C)O)NC(=O)C

InChI

InChI=1S/C21H25N3O3/c1-4-24-11-10-16-17(15-8-6-5-7-9-15)12-18(21(26)23(3)27)20(19(16)13-24)22-14(2)25/h5-9,12,27H,4,10-11,13H2,1-3H3,(H,22,25)