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

Systemtic Name: 1-(3-methylisoquinolin-5-yl)-3-[(4-piperidin-1-ylphenyl)methyl]urea Openeye Name: 1-(3-methyl-5-isoquinolyl)-3-[[4-(1-piperidyl)phenyl]methyl]urea CAS Name: 1-(3-methyl-5-isoquinolinyl)-3-[[4-(1-piperidinyl)phenyl]methyl]urea IUPAC Name: 1-(3-methylisoquinolin-5-yl)-3-[(4-piperidin-1-ylphenyl)methyl]urea Traditional Name: 1-(3-methyl-5-isoquinolyl)-3-(4-piperidinobenzyl)urea Formula: C23H26N4O MolecularWeight: 374.47874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCC3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCC3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C23H26N4O/c1-17-14-21-19(16-24-17)6-5-7-22(21)26-23(28)25-15-18-8-10-20(11-9-18)27-12-3-2-4-13-27/h5-11,14,16H,2-4,12-13,15H2,1H3,(H2,25,26,28)