1-isoquinolin-5-yl-3-[phenyl-(4-piperidin-1-ylphenyl)methyl]urea

Systemtic Name: 1-isoquinolin-5-yl-3-[phenyl-(4-piperidin-1-ylphenyl)methyl]urea Openeye Name: 1-(5-isoquinolyl)-3-[phenyl-[4-(1-piperidyl)phenyl]methyl]urea CAS Name: 1-(5-isoquinolinyl)-3-[phenyl-[4-(1-piperidinyl)phenyl]methyl]urea IUPAC Name: 1-isoquinolin-5-yl-3-[phenyl-(4-piperidin-1-ylphenyl)methyl]urea Traditional Name: 1-(5-isoquinolyl)-3-[phenyl-(4-piperidinophenyl)methyl]urea Formula: C28H28N4O MolecularWeight: 436.54812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C(C3=CC=CC=C3)NC(=O)NC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)C(C3=CC=CC=C3)NC(=O)NC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C28H28N4O/c33-28(30-26-11-7-10-23-20-29-17-16-25(23)26)31-27(21-8-3-1-4-9-21)22-12-14-24(15-13-22)32-18-5-2-6-19-32/h1,3-4,7-17,20,27H,2,5-6,18-19H2,(H2,30,31,33)