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

Systemtic Name: 1-isoquinolin-5-yl-3-[(4-pyrrolidin-1-ylphenyl)methyl]urea Openeye Name: 1-(5-isoquinolyl)-3-[(4-pyrrolidin-1-ylphenyl)methyl]urea CAS Name: 1-(5-isoquinolinyl)-3-[[4-(1-pyrrolidinyl)phenyl]methyl]urea IUPAC Name: 1-isoquinolin-5-yl-3-[(4-pyrrolidin-1-ylphenyl)methyl]urea Traditional Name: 1-(5-isoquinolyl)-3-(4-pyrrolidinobenzyl)urea Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)CNC(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)CNC(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H22N4O/c26-21(24-20-5-3-4-17-15-22-11-10-19(17)20)23-14-16-6-8-18(9-7-16)25-12-1-2-13-25/h3-11,15H,1-2,12-14H2,(H2,23,24,26)