1-butyl-3-[(5-phenylisoquinolin-8-yl)methyl]urea

Systemtic Name: 1-butyl-3-[(5-phenylisoquinolin-8-yl)methyl]urea Openeye Name: 1-butyl-3-[(5-phenyl-8-isoquinolyl)methyl]urea CAS Name: 1-butyl-3-[(5-phenyl-8-isoquinolinyl)methyl]urea IUPAC Name: 1-butyl-3-[(5-phenylisoquinolin-8-yl)methyl]urea Traditional Name: 1-butyl-3-[(5-phenyl-8-isoquinolyl)methyl]urea Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O/c1-2-3-12-23-21(25)24-14-17-9-10-18(16-7-5-4-6-8-16)19-11-13-22-15-20(17)19/h4-11,13,15H,2-3,12,14H2,1H3,(H2,23,24,25)