3-[5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-(phenylmethyl)pyrrolidin-3-yl]oxybenzenecarboximidamide

Systemtic Name: 3-[5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-(phenylmethyl)pyrrolidin-3-yl]oxybenzenecarboximidamide Openeye Name: 3-[1-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]oxybenzamidine CAS Name: 3-[[5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-(phenylmethyl)-3-pyrrolidinyl]oxy]benzenecarboximidamide IUPAC Name: 3-[1-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]oxybenzenecarboximidamide Traditional Name: 3-[1-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]oxybenzamidine Formula: C28H30N4O2 MolecularWeight: 454.5634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3CC(CN3CC4=CC=CC=C4)OC5=CC=CC(=C5)C(=N)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3CC(CN3CC4=CC=CC=C4)OC5=CC=CC(=C5)C(=N)N

InChI

InChI=1S/C28H30N4O2/c29-27(30)22-11-6-12-24(15-22)34-25-16-26(32(19-25)17-20-7-2-1-3-8-20)28(33)31-14-13-21-9-4-5-10-23(21)18-31/h1-12,15,25-26H,13-14,16-19H2,(H3,29,30)