1-butyl-3-[[5-(4-methoxy-3-methyl-phenyl)isoquinolin-8-yl]methyl]urea

Systemtic Name: 1-butyl-3-[[5-(4-methoxy-3-methyl-phenyl)isoquinolin-8-yl]methyl]urea Openeye Name: 1-butyl-3-[[5-(4-methoxy-3-methyl-phenyl)-8-isoquinolyl]methyl]urea CAS Name: 1-butyl-3-[[5-(4-methoxy-3-methylphenyl)-8-isoquinolinyl]methyl]urea IUPAC Name: 1-butyl-3-[[5-(4-methoxy-3-methylphenyl)isoquinolin-8-yl]methyl]urea Traditional Name: 1-butyl-3-[[5-(4-methoxy-3-methyl-phenyl)-8-isoquinolyl]methyl]urea Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NCC1=C2C=NC=CC2=C(C=C1)C3=CC(=C(C=C3)OC)C

Isomeric SMILES

CCCCNC(=O)NCC1=C2C=NC=CC2=C(C=C1)C3=CC(=C(C=C3)OC)C

InChI

InChI=1S/C23H27N3O2/c1-4-5-11-25-23(27)26-14-18-6-8-19(20-10-12-24-15-21(18)20)17-7-9-22(28-3)16(2)13-17/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H2,25,26,27)