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

Systemtic Name: 3-(3-azanyl-5-chloranyl-2,6-diethyl-phenyl)-1-(4-ethynylphenyl)-1-[(4-methoxyphenyl)methyl]urea Openeye Name: 3-(3-amino-5-chloro-2,6-diethyl-phenyl)-1-(4-ethynylphenyl)-1-[(4-methoxyphenyl)methyl]urea CAS Name: 3-(3-amino-5-chloro-2,6-diethylphenyl)-1-(4-ethynylphenyl)-1-[(4-methoxyphenyl)methyl]urea IUPAC Name: 3-(3-amino-5-chloro-2,6-diethylphenyl)-1-(4-ethynylphenyl)-1-[(4-methoxyphenyl)methyl]urea Traditional Name: 3-(3-amino-5-chloro-2,6-diethyl-phenyl)-1-(4-ethynylphenyl)-1-p-anisyl-urea Formula: C27H28ClN3O2 MolecularWeight: 461.98312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1N)Cl)CC)NC(=O)N(CC2=CC=C(C=C2)OC)C3=CC=C(C=C3)C#C

Isomeric SMILES

CCC1=C(C(=C(C=C1N)Cl)CC)NC(=O)N(CC2=CC=C(C=C2)OC)C3=CC=C(C=C3)C#C

InChI

InChI=1S/C27H28ClN3O2/c1-5-18-8-12-20(13-9-18)31(17-19-10-14-21(33-4)15-11-19)27(32)30-26-22(6-2)24(28)16-25(29)23(26)7-3/h1,8-16H,6-7,17,29H2,2-4H3,(H,30,32)