3-(3-azanyl-5-chloranyl-2,6-diethyl-phenyl)-1-[(4-cyanophenyl)methyl]-1-(4-ethylphenyl)urea

Systemtic Name: 3-(3-azanyl-5-chloranyl-2,6-diethyl-phenyl)-1-[(4-cyanophenyl)methyl]-1-(4-ethylphenyl)urea Openeye Name: 3-(3-amino-5-chloro-2,6-diethyl-phenyl)-1-[(4-cyanophenyl)methyl]-1-(4-ethylphenyl)urea CAS Name: 3-(3-amino-5-chloro-2,6-diethylphenyl)-1-[(4-cyanophenyl)methyl]-1-(4-ethylphenyl)urea IUPAC Name: 3-(3-amino-5-chloro-2,6-diethylphenyl)-1-[(4-cyanophenyl)methyl]-1-(4-ethylphenyl)urea Traditional Name: 3-(3-amino-5-chloro-2,6-diethyl-phenyl)-1-(4-cyanobenzyl)-1-(4-ethylphenyl)urea Formula: C27H29ClN4O MolecularWeight: 460.99836

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(CC2=CC=C(C=C2)C#N)C(=O)NC3=C(C(=CC(=C3CC)Cl)N)CC

Isomeric SMILES

CCC1=CC=C(C=C1)N(CC2=CC=C(C=C2)C#N)C(=O)NC3=C(C(=CC(=C3CC)Cl)N)CC

InChI

InChI=1S/C27H29ClN4O/c1-4-18-11-13-21(14-12-18)32(17-20-9-7-19(16-29)8-10-20)27(33)31-26-22(5-2)24(28)15-25(30)23(26)6-3/h7-15H,4-6,17,30H2,1-3H3,(H,31,33)