1-(4-cyanophenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]urea

Systemtic Name: 1-(4-cyanophenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]urea Openeye Name: 1-(4-cyanophenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea CAS Name: 1-(4-cyanophenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo(1-pyrrolidinyl)methyl]phenyl]urea IUPAC Name: 1-(4-cyanophenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea Traditional Name: 1-(4-cyanophenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea Formula: C28H27N5O2 MolecularWeight: 465.54628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C#N)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C#N)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H27N5O2/c29-18-20-7-9-23(10-8-20)30-28(35)31-24-11-12-26(25(17-24)27(34)32-14-3-4-15-32)33-16-13-21-5-1-2-6-22(21)19-33/h1-2,5-12,17H,3-4,13-16,19H2,(H2,30,31,35)