N-(3-methylbutyl)-2-[(1-phenyl-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1,3-oxazole-4-carboxamide

Systemtic Name: N-(3-methylbutyl)-2-[(1-phenyl-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1,3-oxazole-4-carboxamide Openeye Name: N-isopentyl-2-[(1-phenyl-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]oxazole-4-carboxamide CAS Name: N-(3-methylbutyl)-2-[[2-(1-oxopropyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-4-oxazolecarboxamide IUPAC Name: N-(3-methylbutyl)-2-[(1-phenyl-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1,3-oxazole-4-carboxamide Traditional Name: N-isoamyl-2-[(1-phenyl-2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]oxazole-4-carboxamide Formula: C28H33N3O4 MolecularWeight: 475.57932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1C3=CC=CC=C3)C=C(C=C2)OCC4=NC(=CO4)C(=O)NCCC(C)C

Isomeric SMILES

CCC(=O)N1CCC2=C(C1C3=CC=CC=C3)C=C(C=C2)OCC4=NC(=CO4)C(=O)NCCC(C)C

InChI

InChI=1S/C28H33N3O4/c1-4-26(32)31-15-13-20-10-11-22(16-23(20)27(31)21-8-6-5-7-9-21)34-18-25-30-24(17-35-25)28(33)29-14-12-19(2)3/h5-11,16-17,19,27H,4,12-15,18H2,1-3H3,(H,29,33)