1-[(4-butylphenyl)methyl]-3-(4-chloranyl-2-methyl-phenyl)-1-(6-cyanohexyl)urea

Systemtic Name: 1-[(4-butylphenyl)methyl]-3-(4-chloranyl-2-methyl-phenyl)-1-(6-cyanohexyl)urea Openeye Name: 1-[(4-butylphenyl)methyl]-3-(4-chloro-2-methyl-phenyl)-1-(6-cyanohexyl)urea CAS Name: 1-[(4-butylphenyl)methyl]-3-(4-chloro-2-methylphenyl)-1-(6-cyanohexyl)urea IUPAC Name: 1-[(4-butylphenyl)methyl]-3-(4-chloro-2-methylphenyl)-1-(6-cyanohexyl)urea Traditional Name: 1-(4-butylbenzyl)-3-(4-chloro-2-methyl-phenyl)-1-(6-cyanohexyl)urea Formula: C26H34ClN3O MolecularWeight: 440.02066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN(CCCCCCC#N)C(=O)NC2=C(C=C(C=C2)Cl)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CCCCCCC#N)C(=O)NC2=C(C=C(C=C2)Cl)C

InChI

InChI=1S/C26H34ClN3O/c1-3-4-10-22-11-13-23(14-12-22)20-30(18-9-7-5-6-8-17-28)26(31)29-25-16-15-24(27)19-21(25)2/h11-16,19H,3-10,18,20H2,1-2H3,(H,29,31)