N-(3-methylbutyl)-2-[[1-phenyl-2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butanamide

Systemtic Name: N-(3-methylbutyl)-2-[[1-phenyl-2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butanamide Openeye Name: 2-[(2-benzyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-N-isopentyl-butanamide CAS Name: N-(3-methylbutyl)-2-[[1-phenyl-2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butanamide IUPAC Name: 2-[(2-benzyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-N-(3-methylbutyl)butanamide Traditional Name: 2-[(2-benzyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-N-isoamyl-butyramide Formula: C31H38N2O2 MolecularWeight: 470.64562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCC(C)C)OC1=CC2=C(CCN(C2C3=CC=CC=C3)CC4=CC=CC=C4)C=C1

Isomeric SMILES

CCC(C(=O)NCCC(C)C)OC1=CC2=C(CCN(C2C3=CC=CC=C3)CC4=CC=CC=C4)C=C1

InChI

InChI=1S/C31H38N2O2/c1-4-29(31(34)32-19-17-23(2)3)35-27-16-15-25-18-20-33(22-24-11-7-5-8-12-24)30(28(25)21-27)26-13-9-6-10-14-26/h5-16,21,23,29-30H,4,17-20,22H2,1-3H3,(H,32,34)