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

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

Systemtic Name:1-(1-adamantyl)-3-[(5-phenylisoquinolin-8-yl)methyl]urea
Openeye Name:1-(1-adamantyl)-3-[(5-phenyl-8-isoquinolyl)methyl]urea
CAS Name:1-(1-adamantyl)-3-[(5-phenyl-8-isoquinolinyl)methyl]urea
IUPAC Name:1-(1-adamantyl)-3-[(5-phenylisoquinolin-8-yl)methyl]urea
Traditional Name:1-(1-adamantyl)-3-[(5-phenyl-8-isoquinolyl)methyl]urea
Formula: C27H29N3O
MolecularWeight: 411.53866
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCC4=C5C=NC=CC5=C(C=C4)C6=CC=CC=C6


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCC4=C5C=NC=CC5=C(C=C4)C6=CC=CC=C6


InChI

InChI=1S/C27H29N3O/c31-26(30-27-13-18-10-19(14-27)12-20(11-18)15-27)29-16-22-6-7-23(21-4-2-1-3-5-21)24-8-9-28-17-25(22)24/h1-9,17-20H,10-16H2,(H2,29,30,31)


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