1-heptyl-3-isoquinolin-5-yl-1-[[4-(3-methylbutyl)phenyl]methyl]urea

Systemtic Name: 1-heptyl-3-isoquinolin-5-yl-1-[[4-(3-methylbutyl)phenyl]methyl]urea Openeye Name: 1-heptyl-1-[(4-isopentylphenyl)methyl]-3-(5-isoquinolyl)urea CAS Name: 1-heptyl-3-(5-isoquinolinyl)-1-[[4-(3-methylbutyl)phenyl]methyl]urea IUPAC Name: 1-heptyl-3-isoquinolin-5-yl-1-[[4-(3-methylbutyl)phenyl]methyl]urea Traditional Name: 1-heptyl-1-(4-isoamylbenzyl)-3-(5-isoquinolyl)urea Formula: C29H39N3O MolecularWeight: 445.63946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=C(C=C1)CCC(C)C)C(=O)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCCCCCN(CC1=CC=C(C=C1)CCC(C)C)C(=O)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C29H39N3O/c1-4-5-6-7-8-20-32(22-25-16-14-24(15-17-25)13-12-23(2)3)29(33)31-28-11-9-10-26-21-30-19-18-27(26)28/h9-11,14-19,21,23H,4-8,12-13,20,22H2,1-3H3,(H,31,33)