2-[(1-phenyl-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: 2-[(1-phenyl-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 2-[(1-phenyl-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-N-(2-pyridylmethyl)butanamide CAS Name: 2-[[2-(1-oxopropyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(2-pyridinylmethyl)butanamide IUPAC Name: 2-[(1-phenyl-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 2-[(1-phenyl-2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-N-(2-pyridylmethyl)butyramide Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=N1)OC2=CC3=C(CCN(C3C4=CC=CC=C4)C(=O)CC)C=C2

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=N1)OC2=CC3=C(CCN(C3C4=CC=CC=C4)C(=O)CC)C=C2

InChI

InChI=1S/C28H31N3O3/c1-3-25(28(33)30-19-22-12-8-9-16-29-22)34-23-14-13-20-15-17-31(26(32)4-2)27(24(20)18-23)21-10-6-5-7-11-21/h5-14,16,18,25,27H,3-4,15,17,19H2,1-2H3,(H,30,33)