5-[4-(4-butoxy-3-chloranyl-5-ethoxy-phenyl)carbonylpiperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[4-(4-butoxy-3-chloranyl-5-ethoxy-phenyl)carbonylpiperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-(4-butoxy-3-chloro-5-ethoxy-benzoyl)piperazin-1-yl]-2-cyclopropyl-oxazole-4-carbonitrile CAS Name: 5-[4-[(4-butoxy-3-chloro-5-ethoxyphenyl)-oxomethyl]-1-piperazinyl]-2-cyclopropyl-4-oxazolecarbonitrile IUPAC Name: 5-[4-(4-butoxy-3-chloro-5-ethoxybenzoyl)piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Traditional Name: 5-[4-(4-butoxy-3-chloro-5-ethoxy-benzoyl)piperazino]-2-cyclopropyl-oxazole-4-carbonitrile Formula: C24H29ClN4O4 MolecularWeight: 472.96446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C3=C(N=C(O3)C4CC4)C#N)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C3=C(N=C(O3)C4CC4)C#N)OCC

InChI

InChI=1S/C24H29ClN4O4/c1-3-5-12-32-21-18(25)13-17(14-20(21)31-4-2)23(30)28-8-10-29(11-9-28)24-19(15-26)27-22(33-24)16-6-7-16/h13-14,16H,3-12H2,1-2H3