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

Systemtic Name: 3-[5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-(phenylcarbonyl)pyrrolidin-3-yl]oxybenzenecarboximidamide Openeye Name: 3-[1-benzoyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]oxybenzamidine CAS Name: 3-[[1-benzoyl-5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-pyrrolidinyl]oxy]benzenecarboximidamide IUPAC Name: 3-[1-benzoyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]oxybenzenecarboximidamide Traditional Name: 3-[1-benzoyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]oxybenzamidine Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3CC(CN3C(=O)C4=CC=CC=C4)OC5=CC=CC(=C5)C(=N)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3CC(CN3C(=O)C4=CC=CC=C4)OC5=CC=CC(=C5)C(=N)N

InChI

InChI=1S/C28H28N4O3/c29-26(30)21-11-6-12-23(15-21)35-24-16-25(32(18-24)27(33)20-8-2-1-3-9-20)28(34)31-14-13-19-7-4-5-10-22(19)17-31/h1-12,15,24-25H,13-14,16-18H2,(H3,29,30)