1-[4-(1-adamantyl)phenyl]-3-butyl-urea

Systemtic Name: 1-[4-(1-adamantyl)phenyl]-3-butyl-urea Openeye Name: 1-[4-(1-adamantyl)phenyl]-3-butyl-urea CAS Name: 1-[4-(1-adamantyl)phenyl]-3-butylurea IUPAC Name: 1-[4-(1-adamantyl)phenyl]-3-butylurea Traditional Name: 1-[4-(1-adamantyl)phenyl]-3-butyl-urea Formula: C21H30N2O MolecularWeight: 326.4757

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCNC(=O)NC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30N2O/c1-2-3-8-22-20(24)23-19-6-4-18(5-7-19)21-12-15-9-16(13-21)11-17(10-15)14-21/h4-7,15-17H,2-3,8-14H2,1H3,(H2,22,23,24)