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

Systemtic Name: 1-(3-azanylisoquinolin-5-yl)-3-[(4-piperidin-1-ylphenyl)methyl]urea Openeye Name: 1-(3-amino-5-isoquinolyl)-3-[[4-(1-piperidyl)phenyl]methyl]urea CAS Name: 1-(3-amino-5-isoquinolinyl)-3-[[4-(1-piperidinyl)phenyl]methyl]urea IUPAC Name: 1-(3-aminoisoquinolin-5-yl)-3-[(4-piperidin-1-ylphenyl)methyl]urea Traditional Name: 1-(3-amino-5-isoquinolyl)-3-(4-piperidinobenzyl)urea Formula: C22H25N5O MolecularWeight: 375.4668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)CNC(=O)NC3=CC=CC4=CN=C(C=C43)N

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)CNC(=O)NC3=CC=CC4=CN=C(C=C43)N

InChI

InChI=1S/C22H25N5O/c23-21-13-19-17(15-24-21)5-4-6-20(19)26-22(28)25-14-16-7-9-18(10-8-16)27-11-2-1-3-12-27/h4-10,13,15H,1-3,11-12,14H2,(H2,23,24)(H2,25,26,28)